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

C20H22ClN3O3 — CID 55544316

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-18-7-5-17(6-8-18)22-19(25)14-23-9-11-24(12-10-23)20(26)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyVCNJFDNLLPXCOW-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.75
Rot. Bonds5

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

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 55544316) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID55544316
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-18-7-5-17(6-8-18)22-19(25)14-23-9-11-24(12-10-23)20(26)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKeyVCNJFDNLLPXCOW-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42876933
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 5067912
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 99184957
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35228132
[4-[[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetyl]amino]phenyl] methyl carbonate
CID 150918073
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 55544316) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is VCNJFDNLLPXCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-18-7-5-17(6-8-18)22-19(25)14-23-9-11-24(12-10-23)20(26)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 387.87 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 55544316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).