4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide

C19H20ClN3O2 — CID 44754288

IUPAC4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-6-4-5-14(13-15)18(24)21-17-9-11-23(12-10-17)19(25)22-16-7-2-1-3-8-16/h1-8,13,17H,9-12H2,(H,21,24)(H,22,25)
InChIKeyPTNUZRUBKSMPHW-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.77
Rot. Bonds3

About 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide

4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 44754288) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID44754288
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-6-4-5-14(13-15)18(24)21-17-9-11-23(12-10-17)19(25)22-16-7-2-1-3-8-16/h1-8,13,17H,9-12H2,(H,21,24)(H,22,25)
InChIKeyPTNUZRUBKSMPHW-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
CID 108559869
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
4-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 24792468
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide (CID 44754288) is 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is PTNUZRUBKSMPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-6-4-5-14(13-15)18(24)21-17-9-11-23(12-10-17)19(25)22-16-7-2-1-3-8-16/h1-8,13,17H,9-12H2,(H,21,24)(H,22,25).
What are the key properties of 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 44754288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).