4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

C17H29N3O3 — CID 91589502

IUPAC4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCCC2)C1)C1CCC(O)CC1
InChIInChI=1S/C17H29N3O3/c21-14-5-3-13(4-6-14)16(22)19-11-12-9-15(18-10-12)17(23)20-7-1-2-8-20/h12-15,18,21H,1-11H2,(H,19,22)/t12-,13?,14?,15-/m0/s1
InChIKeyRTIMJMGNRUVORT-PPWQZUPISA-N
MW323.44 g/mol
LogP0.25
Rot. Bonds4

About 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 91589502) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
PubChem CID91589502
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCCC2)C1)C1CCC(O)CC1
InChIInChI=1S/C17H29N3O3/c21-14-5-3-13(4-6-14)16(22)19-11-12-9-15(18-10-12)17(23)20-7-1-2-8-20/h12-15,18,21H,1-11H2,(H,19,22)/t12-,13?,14?,15-/m0/s1
InChIKeyRTIMJMGNRUVORT-PPWQZUPISA-N
XLogP0.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-2-(dimethylamino)pentyl]-4-hydroxycyclohexane-1-carboxamide
CID 129617577
(2S,4S)-4-amino-N-isopropyl-1-[(4-methoxycyclohexyl)carbonyl]pyrrolidine-2-carboxamide
CID 56714173
(4R)-4-amino-N,N-diethyl-1-[(cis-4-hydroxycyclohexyl)carbonyl]-L-prolinamide
CID 56757275
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 54159322
(2S)-2-(4-hydroxycyclohexyl)-2-(methylamino)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 60041924
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 163459489
N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 174424593
1-(cyclohexylcarbonyl)-N-(trans-4-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 46989845
(2R)-1-(cyclohexanecarbonyl)-N-(4-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 52388328
(2S)-1-(cyclohexanecarbonyl)-N-(4-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 52388329
(4S)-4-amino-N,N-diethyl-1-[(cis-4-hydroxycyclohexyl)carbonyl]-L-prolinamide
CID 56714924
(4R)-4-amino-N-isopropyl-1-[(4-methoxycyclohexyl)carbonyl]-L-prolinamide
CID 56721844

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide (CID 91589502) is 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide is O=C(NC[C@@H]1CN[C@H](C(=O)N2CCCC2)C1)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is RTIMJMGNRUVORT-PPWQZUPISA-N. The full InChI is InChI=1S/C17H29N3O3/c21-14-5-3-13(4-6-14)16(22)19-11-12-9-15(18-10-12)17(23)20-7-1-2-8-20/h12-15,18,21H,1-11H2,(H,19,22)/t12-,13?,14?,15-/m0/s1.
What are the key properties of 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91589502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).