1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide

C28H28ClN3O3 — CID 43000360

IUPAC1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H28ClN3O3/c1-19(20-7-3-2-4-8-20)30-27(34)24-9-5-6-10-25(24)31-26(33)21-15-17-32(18-16-21)28(35)22-11-13-23(29)14-12-22/h2-14,19,21H,15-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyDTOJTVVRYGFEHV-UHFFFAOYSA-N
MW490.00 g/mol
LogP5.32
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43000360) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43000360
Molecular FormulaC28H28ClN3O3
Molecular Weight490.00 g/mol
Exact Mass489.18
IUPAC Name1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H28ClN3O3/c1-19(20-7-3-2-4-8-20)30-27(34)24-9-5-6-10-25(24)31-26(33)21-15-17-32(18-16-21)28(35)22-11-13-23(29)14-12-22/h2-14,19,21H,15-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyDTOJTVVRYGFEHV-UHFFFAOYSA-N
XLogP5.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55672910
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99130152
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-(4-fluorophenyl)sulfonyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 100651425

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43000360) is 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide is CC(NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DTOJTVVRYGFEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c1-19(20-7-3-2-4-8-20)30-27(34)24-9-5-6-10-25(24)31-26(33)21-15-17-32(18-16-21)28(35)22-11-13-23(29)14-12-22/h2-14,19,21H,15-18H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 490.00 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43000360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).