(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide

C24H22N2O4 — CID 42348707

IUPAC(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c27-22(18-6-2-1-3-7-18)24(29)26-14-4-8-19(16-26)23(28)25-20-12-10-17(11-13-20)21-9-5-15-30-21/h1-3,5-7,9-13,15,19H,4,8,14,16H2,(H,25,28)/t19-/m1/s1
InChIKeyPHZLMBNUCZTMTH-LJQANCHMSA-N
MW402.45 g/mol
LogP4.01
Rot. Bonds5

About (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide

(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 42348707) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
PubChem CID42348707
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c27-22(18-6-2-1-3-7-18)24(29)26-14-4-8-19(16-26)23(28)25-20-12-10-17(11-13-20)21-9-5-15-30-21/h1-3,5-7,9-13,15,19H,4,8,14,16H2,(H,25,28)/t19-/m1/s1
InChIKeyPHZLMBNUCZTMTH-LJQANCHMSA-N
XLogP4.01
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 45175122
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 51903477
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
CID 45172863
(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
CID 42191121
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-[3-(furan-2-carbonylamino)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42935667
1-[(3,4-difluorophenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
CID 162659444
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide (CID 42348707) is (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide is O=C(C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1)c1ccccc1.
What is the InChIKey of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is PHZLMBNUCZTMTH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-22(18-6-2-1-3-7-18)24(29)26-14-4-8-19(16-26)23(28)25-20-12-10-17(11-13-20)21-9-5-15-30-21/h1-3,5-7,9-13,15,19H,4,8,14,16H2,(H,25,28)/t19-/m1/s1.
What are the key properties of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide?
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 42348707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).