N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide

C22H26ClN3O2 — CID 120802548

IUPACN-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCNCC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-16-5-7-17(8-6-16)9-10-21(27)25-15-22(28)26-12-11-24-14-20(26)18-3-2-4-19(23)13-18/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,25,27)
InChIKeyPMCIFRHVKKHQHA-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.87
Rot. Bonds6

About N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide

N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide (PubChem CID 120802548) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
PubChem CID120802548
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCNCC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-16-5-7-17(8-6-16)9-10-21(27)25-15-22(28)26-12-11-24-14-20(26)18-3-2-4-19(23)13-18/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,25,27)
InChIKeyPMCIFRHVKKHQHA-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide
CID 120730434
5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 120802618
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 120802562
2-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120802910
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide (CID 120802548) is N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(=O)N2CCNCC2c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is PMCIFRHVKKHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-5-7-17(8-6-16)9-10-21(27)25-15-22(28)26-12-11-24-14-20(26)18-3-2-4-19(23)13-18/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,25,27).
What are the key properties of N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 399.92 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 120802548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).