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

C16H30N2O2 — CID 95977755

IUPAC(3S)-3-(hydroxymethyl)-N-[(1R,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+/m0/s1
InChIKeyNVOGQUNRUWYDCC-SOUVJXGZSA-N
MW282.43 g/mol
LogP2.62
Rot. Bonds3

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

(3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide (PubChem CID 95977755) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
PubChem CID95977755
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3S)-3-(hydroxymethyl)-N-[(1R,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+/m0/s1
InChIKeyNVOGQUNRUWYDCC-SOUVJXGZSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide (CID 95977755) is (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-[(1R,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 (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
The InChIKey is NVOGQUNRUWYDCC-SOUVJXGZSA-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+/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide?
(3S)-3-(hydroxymethyl)-N-[(1R,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 (3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 95977755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).