(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide

C16H30N2O2 — CID 100857700

IUPAC(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
SMILESCC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CO)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)14-7-3-4-8-15(14)17-16(20)18-9-5-6-13(10-18)11-19/h12-15,19H,3-11H2,1-2H3,(H,17,20)/t13-,14+,15+/m1/s1
InChIKeyNVOGQUNRUWYDCC-ILXRZTDVSA-N
MW282.43 g/mol
LogP2.62
Rot. Bonds3

About (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide (PubChem CID 100857700) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
PubChem CID100857700
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
SMILESCC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CO)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)14-7-3-4-8-15(14)17-16(20)18-9-5-6-13(10-18)11-19/h12-15,19H,3-11H2,1-2H3,(H,17,20)/t13-,14+,15+/m1/s1
InChIKeyNVOGQUNRUWYDCC-ILXRZTDVSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
CID 111508645
(3R)-N-[(1R,2R)-2-methoxycyclohexyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 124741783
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841200
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide (CID 100857700) is (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide is CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
The InChIKey is NVOGQUNRUWYDCC-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)14-7-3-4-8-15(14)17-16(20)18-9-5-6-13(10-18)11-19/h12-15,19H,3-11H2,1-2H3,(H,17,20)/t13-,14+,15+/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 100857700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).