N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide

C13H24N2O2 — CID 143950211

IUPACN-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
SMILESCC1C[C@H](NC(=O)C2CCCCN2)CC[C@@H]1O
InChIInChI=1S/C13H24N2O2/c1-9-8-10(5-6-12(9)16)15-13(17)11-4-2-3-7-14-11/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11?,12+/m1/s1
InChIKeyMGHXDNYCQMHROC-RSJDFQLWSA-N
MW240.35 g/mol
LogP0.79
Rot. Bonds2

About N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide

N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide (PubChem CID 143950211) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
PubChem CID143950211
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
SMILESCC1C[C@H](NC(=O)C2CCCCN2)CC[C@@H]1O
InChIInChI=1S/C13H24N2O2/c1-9-8-10(5-6-12(9)16)15-13(17)11-4-2-3-7-14-11/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11?,12+/m1/s1
InChIKeyMGHXDNYCQMHROC-RSJDFQLWSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
CID 58369448
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide?
The IUPAC name of N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide (CID 143950211) is N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide is CC1C[C@H](NC(=O)C2CCCCN2)CC[C@@H]1O.
What is the InChIKey of N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide?
The InChIKey is MGHXDNYCQMHROC-RSJDFQLWSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-8-10(5-6-12(9)16)15-13(17)11-4-2-3-7-14-11/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11?,12+/m1/s1.
What are the key properties of N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide?
N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide is sourced from PubChem (CID 143950211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).