1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide

C21H22ClN3O3 — CID 26462507

IUPAC1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c22-17-8-6-15(7-9-17)20(27)23-14-19(26)25-12-10-16(11-13-25)21(28)24-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,23,27)(H,24,28)
InChIKeyOLZHYIHIMBGTDN-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 26462507) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID26462507
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c22-17-8-6-15(7-9-17)20(27)23-14-19(26)25-12-10-16(11-13-25)21(28)24-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,23,27)(H,24,28)
InChIKeyOLZHYIHIMBGTDN-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
1-[2-[(4-methyl-3-nitrobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41445973
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide (CID 26462507) is 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide is O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is OLZHYIHIMBGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-17-8-6-15(7-9-17)20(27)23-14-19(26)25-12-10-16(11-13-25)21(28)24-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,23,27)(H,24,28).
What are the key properties of 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26462507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).