4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride

C17H25Cl2N3O2 — CID 120738623

IUPAC4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-2-9-20-16(22)7-8-17(23)21-11-10-19-12-15(21)13-5-3-4-6-14(13)18;/h3-6,15,19H,2,7-12H2,1H3,(H,20,22);1H
InChIKeyFOKLLCVMXSPUJK-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.54
Rot. Bonds6

About 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride

4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride (PubChem CID 120738623) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
PubChem CID120738623
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-2-9-20-16(22)7-8-17(23)21-11-10-19-12-15(21)13-5-3-4-6-14(13)18;/h3-6,15,19H,2,7-12H2,1H3,(H,20,22);1H
InChIKeyFOKLLCVMXSPUJK-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
N-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120738732
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120738621
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride?
The IUPAC name of 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride (CID 120738623) is 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride?
The canonical SMILES for 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride is CCCNC(=O)CCC(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride?
The InChIKey is FOKLLCVMXSPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-2-9-20-16(22)7-8-17(23)21-11-10-19-12-15(21)13-5-3-4-6-14(13)18;/h3-6,15,19H,2,7-12H2,1H3,(H,20,22);1H.
What are the key properties of 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride?
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 120738623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).