N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide

C19H20ClN3O2 — CID 1294876

IUPACN-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)15-5-7-17(8-6-15)21-19(25)23-11-9-22(10-12-23)18-4-2-3-16(20)13-18/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyHIRVZODWXBIPRP-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.90
Rot. Bonds3

About N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide

N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 1294876) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID1294876
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)15-5-7-17(8-6-15)21-19(25)23-11-9-22(10-12-23)18-4-2-3-16(20)13-18/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyHIRVZODWXBIPRP-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
sEH inhibitor B15
CID 164946818
N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]-3-methylbenzamide
CID 168293603
4-(4-acetylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 2211455
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
N1-phenyl-4-benzoylpiperidine-1-carboxamide
CID 2740754
4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine-1-carboxamide
CID 16012854
Milenperone
CID 65489

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 1294876) is N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is HIRVZODWXBIPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(24)15-5-7-17(8-6-15)21-19(25)23-11-9-22(10-12-23)18-4-2-3-16(20)13-18/h2-8,13H,9-12H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1294876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).