N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide

C13H24N2O2 — CID 112701948

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CCNC1
InChIInChI=1S/C13H24N2O2/c16-10-13(5-2-1-3-6-13)9-15-12(17)11-4-7-14-8-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyJKBZNRJSEGOXRT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.65
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 112701948) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
PubChem CID112701948
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CCNC1
InChIInChI=1S/C13H24N2O2/c16-10-13(5-2-1-3-6-13)9-15-12(17)11-4-7-14-8-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyJKBZNRJSEGOXRT-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-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-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161187
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 104872740
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63006732
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide (CID 112701948) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide is O=C(NCC1(CO)CCCCC1)C1CCNC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is JKBZNRJSEGOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-10-13(5-2-1-3-6-13)9-15-12(17)11-4-7-14-8-11/h11,14,16H,1-10H2,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 112701948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).