(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

C27H30N2O3 — CID 93000015

IUPAC(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
SMILESCCc1ccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C27H30N2O3/c1-3-20-9-11-22(12-10-20)24-15-25(17-29(16-24)27(31)23-13-14-32-18-23)26(30)28-19(2)21-7-5-4-6-8-21/h4-14,18-19,24-25H,3,15-17H2,1-2H3,(H,28,30)/t19-,24+,25+/m0/s1
InChIKeyZDELSINMUSOPBW-QTLGCAHFSA-N
MW430.55 g/mol
LogP4.97
Rot. Bonds6

About (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 93000015) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
PubChem CID93000015
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
SMILESCCc1ccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C27H30N2O3/c1-3-20-9-11-22(12-10-20)24-15-25(17-29(16-24)27(31)23-13-14-32-18-23)26(30)28-19(2)21-7-5-4-6-8-21/h4-14,18-19,24-25H,3,15-17H2,1-2H3,(H,28,30)/t19-,24+,25+/m0/s1
InChIKeyZDELSINMUSOPBW-QTLGCAHFSA-N
XLogP4.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 92999981
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 42869328
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 98635565
1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide
CID 46931307
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 46065084

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide (CID 93000015) is (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide is CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1.
What is the InChIKey of (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The InChIKey is ZDELSINMUSOPBW-QTLGCAHFSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-20-9-11-22(12-10-20)24-15-25(17-29(16-24)27(31)23-13-14-32-18-23)26(30)28-19(2)21-7-5-4-6-8-21/h4-14,18-19,24-25H,3,15-17H2,1-2H3,(H,28,30)/t19-,24+,25+/m0/s1.
What are the key properties of (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 93000015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).