N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol

C113H229N17O17 — CID 160589440

IUPACN-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)O.CC(C)C(N)=O.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CCC(=O)C(C)C
InChIInChI=1S/C14H27N3O.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C6H12O.C5H12O.C4H9NO.C4H8O2/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-4-6(7)5(2)3;1-5(2)3-4-6;2*1-3(2)4(5)6/h12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);3H,1-2H3,(H,5,6)
InChIKeyRCUTWERFRDTWEZ-UHFFFAOYSA-N
MW2098.18 g/mol
LogP11.26
Rot. Bonds24

About N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol

N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (PubChem CID 160589440) has the molecular formula C113H229N17O17 and a molecular weight of 2098.18 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
PubChem CID160589440
Molecular FormulaC113H229N17O17
Molecular Weight2098.18 g/mol
Exact Mass2096.76
IUPAC NameN-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)O.CC(C)C(N)=O.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CCC(=O)C(C)C
InChIInChI=1S/C14H27N3O.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C6H12O.C5H12O.C4H9NO.C4H8O2/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-4-6(7)5(2)3;1-5(2)3-4-6;2*1-3(2)4(5)6/h12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);3H,1-2H3,(H,5,6)
InChIKeyRCUTWERFRDTWEZ-UHFFFAOYSA-N
XLogP11.26
TPSA436.16 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002098.18
LogP ≤ 511.26
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (CID 160589440) is N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol is CC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)O.CC(C)C(N)=O.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CCC(=O)C(C)C.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The InChIKey is RCUTWERFRDTWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C6H12O.C5H12O.C4H9NO.C4H8O2/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-4-6(7)5(2)3;1-5(2)3-4-6;2*1-3(2)4(5)6/h12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);3H,1-2H3,(H,5,6).
What are the key properties of N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol has a molecular weight of 2098.18 g/mol, XLogP of 11.26, 24 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 160589440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).