(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide

C19H28N2O2 — CID 120640059

IUPAC(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(CC2CCOC2)c2ccccc2)CCN1
InChIInChI=1S/C19H28N2O2/c1-14-11-17(7-9-20-14)19(22)21-18(12-15-8-10-23-13-15)16-5-3-2-4-6-16/h2-6,14-15,17-18,20H,7-13H2,1H3,(H,21,22)/t14-,15?,17-,18?/m0/s1
InChIKeyKDCGYAUSUBQXRQ-JWFMREHNSA-N
MW316.44 g/mol
LogP2.66
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 120640059) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID120640059
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(CC2CCOC2)c2ccccc2)CCN1
InChIInChI=1S/C19H28N2O2/c1-14-11-17(7-9-20-14)19(22)21-18(12-15-8-10-23-13-15)16-5-3-2-4-6-16/h2-6,14-15,17-18,20H,7-13H2,1H3,(H,21,22)/t14-,15?,17-,18?/m0/s1
InChIKeyKDCGYAUSUBQXRQ-JWFMREHNSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 120639699
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide (CID 120640059) is (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC(CC2CCOC2)c2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is KDCGYAUSUBQXRQ-JWFMREHNSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-11-17(7-9-20-14)19(22)21-18(12-15-8-10-23-13-15)16-5-3-2-4-6-16/h2-6,14-15,17-18,20H,7-13H2,1H3,(H,21,22)/t14-,15?,17-,18?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120640059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).