(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide

C15H28N2O2 — CID 81133718

IUPAC(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(2)5-7-15(19,8-6-14)11-17-13(18)12-4-3-9-16-10-12/h12,16,19H,3-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyADRSRDYHMMQIPF-GFCCVEGCSA-N
MW268.40 g/mol
LogP1.43
Rot. Bonds3

About (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide

(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide (PubChem CID 81133718) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
PubChem CID81133718
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(2)5-7-15(19,8-6-14)11-17-13(18)12-4-3-9-16-10-12/h12,16,19H,3-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyADRSRDYHMMQIPF-GFCCVEGCSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide
CID 65119800
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide
CID 65119743
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide (CID 81133718) is (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide is CC1(C)CCC(O)(CNC(=O)[C@@H]2CCCNC2)CC1.
What is the InChIKey of (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide?
The InChIKey is ADRSRDYHMMQIPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)5-7-15(19,8-6-14)11-17-13(18)12-4-3-9-16-10-12/h12,16,19H,3-11H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide?
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81133718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).