tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)

C169H331F9N30O19 — CID 159653205

IUPACtris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)
SMILESCC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCOCC1
InChIInChI=1S/3C12H24N2O.3C11H20F2N2O.3C11H21FN2O.2C11H22N2O.2C10H20N2O.C9H18N2O2.2C8H17NO2/c3*1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-9(2)13-10(15)8-11(12)4-6-14(3)7-5-11;2*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;2*1-9(2)11-10(13)8-12-6-4-3-5-7-12;1-8(2)10-9(12)7-11-3-5-13-6-4-11;2*1-5(2)7(10)8(11)9-6(3)4/h3*10H,5-9H2,1-4H3,(H,13,15);3*8-9H,4-7H2,1-3H3,(H,14,16);3*9H,4-8H2,1-3H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);2*9H,3-8H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,10,12);2*5-7,10H,1-4H3,(H,9,11)
InChIKeyMRVLGGUKODYIJE-UHFFFAOYSA-N
MW3258.68 g/mol
LogP18.75
Rot. Bonds48

About tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)

tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide) (PubChem CID 159653205) has the molecular formula C169H331F9N30O19 and a molecular weight of 3258.68 g/mol. Its IUPAC name is tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide).

Molecular Properties

Compound Nametris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)
PubChem CID159653205
Molecular FormulaC169H331F9N30O19
Molecular Weight3258.68 g/mol
Exact Mass3256.57
IUPAC Nametris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)
SMILESCC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCOCC1
InChIInChI=1S/3C12H24N2O.3C11H20F2N2O.3C11H21FN2O.2C11H22N2O.2C10H20N2O.C9H18N2O2.2C8H17NO2/c3*1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-9(2)13-10(15)8-11(12)4-6-14(3)7-5-11;2*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;2*1-9(2)11-10(13)8-12-6-4-3-5-7-12;1-8(2)10-9(12)7-11-3-5-13-6-4-11;2*1-5(2)7(10)8(11)9-6(3)4/h3*10H,5-9H2,1-4H3,(H,13,15);3*8-9H,4-7H2,1-3H3,(H,14,16);3*9H,4-8H2,1-3H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);2*9H,3-8H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,10,12);2*5-7,10H,1-4H3,(H,9,11)
InChIKeyMRVLGGUKODYIJE-UHFFFAOYSA-N
XLogP18.75
TPSA560.65 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003258.68
LogP ≤ 518.75
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide) with MolForge

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Related Compounds

bis(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
CID 157342086
tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
CID 158935524
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-(dimethylamino)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 159040820
2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)
CID 160703843
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-aminoazetidin-1-yl)-N-propan-2-ylpropanamide;2-(3,3-difluoroazetidin-1-yl)-N-propan-2-ylpropanamide;2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide;2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide;2-methyl-2-(1-methylpiperidin-4-yl)-N-propan-2-ylpropanamide;N-methyl-2-morpholin-4-yl-N-propan-2-ylacetamide;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide;2-morpholin-4-yl-N-propan-2-ylacetamide
CID 161059298
1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;3,3-dimethyl-N-propan-2-ylbutanamide;2-hydroxy-3-methyl-N-propan-2-ylbutanamide;2-hydroxy-N-propan-2-ylacetamide;2-hydroxy-N-propan-2-ylpropanamide;N-(2-methoxyethyl)propan-2-amine;2-methoxy-N-propan-2-ylacetamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-2-(propan-2-ylamino)propan-1-ol;propan-2-amine;2-(propan-2-ylamino)acetamide;2-(propan-2-ylamino)acetonitrile;3,3,3-trifluoro-N-propan-2-ylpropanamide;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 161695267
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 167585094

Frequently Asked Questions

What is the IUPAC name of tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)?
The IUPAC name of tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide) (CID 159653205) is tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide).
What is the SMILES notation for tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)?
The canonical SMILES for tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide) is CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCOCC1.
What is the InChIKey of tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)?
The InChIKey is MRVLGGUKODYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H24N2O.3C11H20F2N2O.3C11H21FN2O.2C11H22N2O.2C10H20N2O.C9H18N2O2.2C8H17NO2/c3*1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-9(2)13-10(15)8-11(12)4-6-14(3)7-5-11;2*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;2*1-9(2)11-10(13)8-12-6-4-3-5-7-12;1-8(2)10-9(12)7-11-3-5-13-6-4-11;2*1-5(2)7(10)8(11)9-6(3)4/h3*10H,5-9H2,1-4H3,(H,13,15);3*8-9H,4-7H2,1-3H3,(H,14,16);3*9H,4-8H2,1-3H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);2*9H,3-8H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,10,12);2*5-7,10H,1-4H3,(H,9,11).
What are the key properties of tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)?
tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide) has a molecular weight of 3258.68 g/mol, XLogP of 18.75, 48 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide) is sourced from PubChem (CID 159653205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).