N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide

C13H24N2O2 — CID 64912863

IUPACN-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCC1CCCCC1O
InChIInChI=1S/C13H24N2O2/c1-9-6-14-8-11(9)13(17)15-7-10-4-2-3-5-12(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)
InChIKeyWPRHUJCINSVNKR-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.51
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 64912863) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID64912863
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCC1CCCCC1O
InChIInChI=1S/C13H24N2O2/c1-9-6-14-8-11(9)13(17)15-7-10-4-2-3-5-12(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)
InChIKeyWPRHUJCINSVNKR-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2-hydroxycyclohexyl)methyl]-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)-4-methylpyrrolidine-3-carboxamide
CID 63715176
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160273
4-amino-N-[(2-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 66235488
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
(3R,4S)-N-[(2-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927889
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
N-(cyclopropylmethyl)-3-methylpiperidine-4-carboxamide
CID 130516172
N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 64912863) is N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is WPRHUJCINSVNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-6-14-8-11(9)13(17)15-7-10-4-2-3-5-12(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 64912863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).