2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide

C20H22ClN3O2 — CID 18094231

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-15(19(25)22-18-10-6-5-9-17(18)21)23-11-13-24(14-12-23)20(26)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyDTLOUFDBJVJTLH-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide

2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide (PubChem CID 18094231) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
PubChem CID18094231
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-15(19(25)22-18-10-6-5-9-17(18)21)23-11-13-24(14-12-23)20(26)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyDTLOUFDBJVJTLH-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(2-chlorophenyl)propanamide
CID 47068779
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide (CID 18094231) is 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide is CC(C(=O)Nc1ccccc1Cl)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
The InChIKey is DTLOUFDBJVJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-15(19(25)22-18-10-6-5-9-17(18)21)23-11-13-24(14-12-23)20(26)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide has a molecular weight of 371.87 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 18094231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).