1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide

C21H22ClN3O3 — CID 55397777

IUPAC1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H22ClN3O3/c22-17-6-4-5-16(13-17)20(27)23-14-19(26)25-11-9-15(10-12-25)21(28)24-18-7-2-1-3-8-18/h1-8,13,15H,9-12,14H2,(H,23,27)(H,24,28)
InChIKeyWHSLXXOIBAQJLJ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55397777) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55397777
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H22ClN3O3/c22-17-6-4-5-16(13-17)20(27)23-14-19(26)25-11-9-15(10-12-25)21(28)24-18-7-2-1-3-8-18/h1-8,13,15H,9-12,14H2,(H,23,27)(H,24,28)
InChIKeyWHSLXXOIBAQJLJ-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-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
1-[2-[(4-methyl-3-nitrobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41445973
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55815420
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
CID 35951576
3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide
CID 136523895
1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide (CID 55397777) is 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide is O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is WHSLXXOIBAQJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-17-6-4-5-16(13-17)20(27)23-14-19(26)25-11-9-15(10-12-25)21(28)24-18-7-2-1-3-8-18/h1-8,13,15H,9-12,14H2,(H,23,27)(H,24,28).
What are the key properties of 1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(3-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-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55397777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).