1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C29H30FN3O3 — CID 55963689

IUPAC1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30FN3O3/c30-25-14-8-7-9-21(25)15-18-31-27(34)24-16-19-33(20-17-24)29(36)26(22-10-3-1-4-11-22)32-28(35)23-12-5-2-6-13-23/h1-14,24,26H,15-20H2,(H,31,34)(H,32,35)
InChIKeyCXTJGMVZDWCCET-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.89
Rot. Bonds8

About 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55963689) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55963689
Molecular FormulaC29H30FN3O3
Molecular Weight487.58 g/mol
Exact Mass487.23
IUPAC Name1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30FN3O3/c30-25-14-8-7-9-21(25)15-18-31-27(34)24-16-19-33(20-17-24)29(36)26(22-10-3-1-4-11-22)32-28(35)23-12-5-2-6-13-23/h1-14,24,26H,15-20H2,(H,31,34)(H,32,35)
InChIKeyCXTJGMVZDWCCET-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148209
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide
CID 47047413
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55963689) is 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is O=C(NC(C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is CXTJGMVZDWCCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O3/c30-25-14-8-7-9-21(25)15-18-31-27(34)24-16-19-33(20-17-24)29(36)26(22-10-3-1-4-11-22)32-28(35)23-12-5-2-6-13-23/h1-14,24,26H,15-20H2,(H,31,34)(H,32,35).
What are the key properties of 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55963689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).