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

C12H22N2O2 — CID 63006732

IUPACN-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c15-9-12(5-2-1-3-6-12)14-11(16)10-4-7-13-8-10/h10,13,15H,1-9H2,(H,14,16)
InChIKeyLFGZZMZKNBAFIP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds3

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

N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 63006732) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID63006732
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c15-9-12(5-2-1-3-6-12)14-11(16)10-4-7-13-8-10/h10,13,15H,1-9H2,(H,14,16)
InChIKeyLFGZZMZKNBAFIP-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-ethylcyclobutyl)pyrrolidine-3-carboxamide
CID 130635677
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
N-(1-methylcyclopentyl)pyrrolidine-3-carboxamide
CID 63005620
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
N-(1-ethylcyclobutyl)piperidine-3-carboxamide
CID 115734414
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 63006732) is N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide is O=C(NC1(CO)CCCCC1)C1CCNC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is LFGZZMZKNBAFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-9-12(5-2-1-3-6-12)14-11(16)10-4-7-13-8-10/h10,13,15H,1-9H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).