(2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide

C24H28N2O3 — CID 10135134

IUPAC(2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide
SMILESO=C(C(=O)N1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-22(20-14-5-2-6-15-20)24(29)26-18-10-8-16-21(26)23(28)25-17-9-7-13-19-11-3-1-4-12-19/h1-6,11-12,14-15,21H,7-10,13,16-18H2,(H,25,28)/t21-/m0/s1
InChIKeyWBIQPCVZTHPEHR-NRFANRHFSA-N
MW392.50 g/mol
LogP3.39
Rot. Bonds8

About (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide

(2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide (PubChem CID 10135134) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide
PubChem CID10135134
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide
SMILESO=C(C(=O)N1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-22(20-14-5-2-6-15-20)24(29)26-18-10-8-16-21(26)23(28)25-17-9-7-13-19-11-3-1-4-12-19/h1-6,11-12,14-15,21H,7-10,13,16-18H2,(H,25,28)/t21-/m0/s1
InChIKeyWBIQPCVZTHPEHR-NRFANRHFSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide (CID 10135134) is (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide is O=C(C(=O)N1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide?
The InChIKey is WBIQPCVZTHPEHR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-22(20-14-5-2-6-15-20)24(29)26-18-10-8-16-21(26)23(28)25-17-9-7-13-19-11-3-1-4-12-19/h1-6,11-12,14-15,21H,7-10,13,16-18H2,(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide?
(2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 10135134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).