1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide

C28H28ClN3O3 — CID 50829376

IUPAC1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H28ClN3O3/c29-24-13-11-21(12-14-24)27(34)31-25-10-4-8-22(18-25)28(35)32-17-5-9-23(19-32)26(33)30-16-15-20-6-2-1-3-7-20/h1-4,6-8,10-14,18,23H,5,9,15-17,19H2,(H,30,33)(H,31,34)
InChIKeyNOUWDXWPDMFBGF-UHFFFAOYSA-N
MW490.00 g/mol
LogP4.80
Rot. Bonds7

About 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide

1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 50829376) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID50829376
Molecular FormulaC28H28ClN3O3
Molecular Weight490.00 g/mol
Exact Mass489.18
IUPAC Name1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H28ClN3O3/c29-24-13-11-21(12-14-24)27(34)31-25-10-4-8-22(18-25)28(35)32-17-5-9-23(19-32)26(33)30-16-15-20-6-2-1-3-7-20/h1-4,6-8,10-14,18,23H,5,9,15-17,19H2,(H,30,33)(H,31,34)
InChIKeyNOUWDXWPDMFBGF-UHFFFAOYSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 50829376) is 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is NOUWDXWPDMFBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c29-24-13-11-21(12-14-24)27(34)31-25-10-4-8-22(18-25)28(35)32-17-5-9-23(19-32)26(33)30-16-15-20-6-2-1-3-7-20/h1-4,6-8,10-14,18,23H,5,9,15-17,19H2,(H,30,33)(H,31,34).
What are the key properties of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 490.00 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 50829376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).