N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide

C12H22N2O2 — CID 63715176

IUPACN-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H22N2O2/c1-8-6-13-7-9(8)12(16)14-10-4-2-3-5-11(10)15/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyWCWKDXVEZXARAW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide

N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715176) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63715176
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H22N2O2/c1-8-6-13-7-9(8)12(16)14-10-4-2-3-5-11(10)15/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyWCWKDXVEZXARAW-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-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-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 64912863
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130908536
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
CID 107221723
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
CID 107221615
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102739129
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477
4-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidine-3-carboxamide
CID 113269303

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide (CID 63715176) is N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is WCWKDXVEZXARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-6-13-7-9(8)12(16)14-10-4-2-3-5-11(10)15/h8-11,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide?
N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).