(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide

C18H22N2O2 — CID 120631631

IUPAC(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2ccco2)CCN1
InChIInChI=1S/C18H22N2O2/c1-13-12-15(9-10-19-13)18(21)20-17(16-8-5-11-22-16)14-6-3-2-4-7-14/h2-8,11,13,15,17,19H,9-10,12H2,1H3,(H,20,21)/t13-,15-,17?/m0/s1
InChIKeyNVWWBMPOCZIQOK-JENVPCQVSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds4

About (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120631631) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120631631
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2ccco2)CCN1
InChIInChI=1S/C18H22N2O2/c1-13-12-15(9-10-19-13)18(21)20-17(16-8-5-11-22-16)14-6-3-2-4-7-14/h2-8,11,13,15,17,19H,9-10,12H2,1H3,(H,20,21)/t13-,15-,17?/m0/s1
InChIKeyNVWWBMPOCZIQOK-JENVPCQVSA-N
XLogP2.87
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98536736
(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120634583

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 120631631) is (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC(c2ccccc2)c2ccco2)CCN1.
What is the InChIKey of (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is NVWWBMPOCZIQOK-JENVPCQVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-12-15(9-10-19-13)18(21)20-17(16-8-5-11-22-16)14-6-3-2-4-7-14/h2-8,11,13,15,17,19H,9-10,12H2,1H3,(H,20,21)/t13-,15-,17?/m0/s1.
What are the key properties of (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120631631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).