1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride

C18H27Cl2N3O — CID 118727915

IUPAC1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O.ClH/c19-16-6-1-2-7-17(16)21-14-12-20(13-15-21)9-3-4-10-22-11-5-8-18(22)23;/h1-2,6-7H,3-5,8-15H2;1H
InChIKeyRFFLBWRKQXJYFL-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.29
Rot. Bonds6

About 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride

1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride (PubChem CID 118727915) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride
PubChem CID118727915
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC Name1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O.ClH/c19-16-6-1-2-7-17(16)21-14-12-20(13-15-21)9-3-4-10-22-11-5-8-18(22)23;/h1-2,6-7H,3-5,8-15H2;1H
InChIKeyRFFLBWRKQXJYFL-UHFFFAOYSA-N
XLogP3.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 9904604
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
8-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]dec-9-en-7-one
CID 11372228
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
1-(4-Chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6462900
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672
1-(4-Chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6497603
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 2839645
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2839911
3-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2877411
3-[4-(2-Chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 3109123

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride (CID 118727915) is 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is RFFLBWRKQXJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O.ClH/c19-16-6-1-2-7-17(16)21-14-12-20(13-15-21)9-3-4-10-22-11-5-8-18(22)23;/h1-2,6-7H,3-5,8-15H2;1H.
What are the key properties of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride?
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 372.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 118727915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).