N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide

C21H24ClN3O2 — CID 110359222

IUPACN-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-16(26)23-20-7-5-17(6-8-20)9-10-24-11-13-25(14-12-24)21(27)18-3-2-4-19(22)15-18/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyOURVIAOEUIEOIK-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.30
Rot. Bonds5

About N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide

N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide (PubChem CID 110359222) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
PubChem CID110359222
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-16(26)23-20-7-5-17(6-8-20)9-10-24-11-13-25(14-12-24)21(27)18-3-2-4-19(22)15-18/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyOURVIAOEUIEOIK-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
[4-(2-chloroethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 39161623
[4-(2-bromoethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 80661118
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide (CID 110359222) is N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide?
The InChIKey is OURVIAOEUIEOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-16(26)23-20-7-5-17(6-8-20)9-10-24-11-13-25(14-12-24)21(27)18-3-2-4-19(22)15-18/h2-8,15H,9-14H2,1H3,(H,23,26).
What are the key properties of N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide?
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 110359222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).