N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide

C20H20ClN3O3 — CID 33140395

IUPACN-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H20ClN3O3/c1-14(25)22-18-7-3-5-16(13-18)20(27)24-10-8-23(9-11-24)19(26)15-4-2-6-17(21)12-15/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyPOQLNTSBXSVTOE-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.90
Rot. Bonds3

About N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 33140395) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID33140395
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H20ClN3O3/c1-14(25)22-18-7-3-5-16(13-18)20(27)24-10-8-23(9-11-24)19(26)15-4-2-6-17(21)12-15/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyPOQLNTSBXSVTOE-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 17391677
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide
CID 110365168
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide (CID 33140395) is N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is POQLNTSBXSVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-14(25)22-18-7-3-5-16(13-18)20(27)24-10-8-23(9-11-24)19(26)15-4-2-6-17(21)12-15/h2-7,12-13H,8-11H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 33140395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).