N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide

C19H20ClN3O2 — CID 113078232

IUPACN-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)21-17-6-3-7-18(13-17)22-8-10-23(11-9-22)19(25)15-4-2-5-16(20)12-15/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyLOHUWKMLFUSCJR-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.26
Rot. Bonds3

About N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide

N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 113078232) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID113078232
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)21-17-6-3-7-18(13-17)22-8-10-23(11-9-22)19(25)15-4-2-5-16(20)12-15/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyLOHUWKMLFUSCJR-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078219
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223421
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide (CID 113078232) is N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is LOHUWKMLFUSCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(24)21-17-6-3-7-18(13-17)22-8-10-23(11-9-22)19(25)15-4-2-5-16(20)12-15/h2-7,12-13H,8-11H2,1H3,(H,21,24).
What are the key properties of N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 3.26, 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)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 113078232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).