4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide

C22H24ClN3O3 — CID 26905347

IUPAC4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C22H24ClN3O3/c23-17-10-8-16(9-11-17)21(28)24-13-12-20(27)25-19-7-3-2-6-18(19)22(29)26-14-4-1-5-15-26/h2-3,6-11H,1,4-5,12-15H2,(H,24,28)(H,25,27)
InChIKeyHDFYKCPYLKULLQ-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.72
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide

4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide (PubChem CID 26905347) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
PubChem CID26905347
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C22H24ClN3O3/c23-17-10-8-16(9-11-17)21(28)24-13-12-20(27)25-19-7-3-2-6-18(19)22(29)26-14-4-1-5-15-26/h2-3,6-11H,1,4-5,12-15H2,(H,24,28)(H,25,27)
InChIKeyHDFYKCPYLKULLQ-UHFFFAOYSA-N
XLogP3.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
CID 26905508
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
CID 35326995
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
CID 55669259
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
4-(4-fluorophenyl)-4-oxo-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 35274501
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide (CID 26905347) is 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide?
The InChIKey is HDFYKCPYLKULLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-17-10-8-16(9-11-17)21(28)24-13-12-20(27)25-19-7-3-2-6-18(19)22(29)26-14-4-1-5-15-26/h2-3,6-11H,1,4-5,12-15H2,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide?
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide has a molecular weight of 413.91 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide is sourced from PubChem (CID 26905347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).