tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)

C162H330F3N33O15 — CID 157098638

IUPACtris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)
SMILESCC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1
InChIInChI=1S/6C11H22N2O.3C10H19FN2O.3C10H20N2O.3C9H18N2O.3C3H9N/c3*1-9(2)12-11(14)8-10-4-6-13(3)7-5-10;3*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;3*1-8(2)13-9(14)7-10(11)3-5-12-6-4-10;3*1-8(2)11-10(13)6-9-4-5-12(3)7-9;3*1-7(2)10-9(12)4-8-5-11(3)6-8;3*1-3(2)4/h6*9-10H,4-8H2,1-3H3,(H,12,14);3*8,12H,3-7H2,1-2H3,(H,13,14);3*8-9H,4-7H2,1-3H3,(H,11,13);3*7-8H,4-6H2,1-3H3,(H,10,12);3*3H,4H2,1-2H3
InChIKeyAFMSZXHLLBKRDK-UHFFFAOYSA-N
MW3037.63 g/mol
LogP15.44
Rot. Bonds45

About tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)

tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) (PubChem CID 157098638) has the molecular formula C162H330F3N33O15 and a molecular weight of 3037.63 g/mol. Its IUPAC name is tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine).

Molecular Properties

Compound Nametris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)
PubChem CID157098638
Molecular FormulaC162H330F3N33O15
Molecular Weight3037.63 g/mol
Exact Mass3035.60
IUPAC Nametris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)
SMILESCC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1
InChIInChI=1S/6C11H22N2O.3C10H19FN2O.3C10H20N2O.3C9H18N2O.3C3H9N/c3*1-9(2)12-11(14)8-10-4-6-13(3)7-5-10;3*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;3*1-8(2)13-9(14)7-10(11)3-5-12-6-4-10;3*1-8(2)11-10(13)6-9-4-5-12(3)7-9;3*1-7(2)10-9(12)4-8-5-11(3)6-8;3*1-3(2)4/h6*9-10H,4-8H2,1-3H3,(H,12,14);3*8,12H,3-7H2,1-2H3,(H,13,14);3*8-9H,4-7H2,1-3H3,(H,11,13);3*7-8H,4-6H2,1-3H3,(H,10,12);3*3H,4H2,1-2H3
InChIKeyAFMSZXHLLBKRDK-UHFFFAOYSA-N
XLogP15.44
TPSA589.53 Ų
H-Bond Donors21
H-Bond Acceptors33
Rotatable Bonds45
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003037.63
LogP ≤ 515.44
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1033

Analyze tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) with MolForge

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Related Compounds

1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide
CID 165059216
1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide
CID 167590307
1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;1-[3-fluoro-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide
CID 168409293
N-[2-(diethylamino)ethyl]-2-methylpropanamide;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-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-methylpropane);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide)
CID 157542310
N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)
CID 159322599
N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(1-fluorocyclohexyl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-methylpropane);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide)
CID 160478583
tris(2-(1-fluorocyclohexyl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-methylpropane);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide)
CID 161612702
N-[2-(diethylamino)ethyl]-2-methylpropanamide;bis(2-(1-fluorocyclohexyl)-N-propan-2-ylacetamide);2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide;methane;tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-methylpropane);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide)
CID 161640019

Frequently Asked Questions

What is the IUPAC name of tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?
The IUPAC name of tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) (CID 157098638) is tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine).
What is the SMILES notation for tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?
The canonical SMILES for tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) is CC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.
What is the InChIKey of tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?
The InChIKey is AFMSZXHLLBKRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H22N2O.3C10H19FN2O.3C10H20N2O.3C9H18N2O.3C3H9N/c3*1-9(2)12-11(14)8-10-4-6-13(3)7-5-10;3*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;3*1-8(2)13-9(14)7-10(11)3-5-12-6-4-10;3*1-8(2)11-10(13)6-9-4-5-12(3)7-9;3*1-7(2)10-9(12)4-8-5-11(3)6-8;3*1-3(2)4/h6*9-10H,4-8H2,1-3H3,(H,12,14);3*8,12H,3-7H2,1-2H3,(H,13,14);3*8-9H,4-7H2,1-3H3,(H,11,13);3*7-8H,4-6H2,1-3H3,(H,10,12);3*3H,4H2,1-2H3.
What are the key properties of tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?
tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) has a molecular weight of 3037.63 g/mol, XLogP of 15.44, 45 rotatable bonds, 21 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) is sourced from PubChem (CID 157098638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).