[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C18H25Cl2N3O — CID 120997387

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCC(N2CCNCC2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O.ClH/c19-15-3-1-14(2-4-15)18(6-7-18)17(23)22-10-5-16(13-22)21-11-8-20-9-12-21;/h1-4,16,20H,5-13H2;1H
InChIKeyRMNLTYGJCWHBCC-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.30
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120997387) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120997387
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCC(N2CCNCC2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O.ClH/c19-15-3-1-14(2-4-15)18(6-7-18)17(23)22-10-5-16(13-22)21-11-8-20-9-12-21;/h1-4,16,20H,5-13H2;1H
InChIKeyRMNLTYGJCWHBCC-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[1-(2,6-dichlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995743
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636111
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
2-(4-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996904
[1-(4-chlorophenyl)cyclopropyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679970
[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995939
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
(4-chloro-2-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995650
methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
CID 112733543
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120997387) is [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(N1CCC(N2CCNCC2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is RMNLTYGJCWHBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O.ClH/c19-15-3-1-14(2-4-15)18(6-7-18)17(23)22-10-5-16(13-22)21-11-8-20-9-12-21;/h1-4,16,20H,5-13H2;1H.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 370.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120997387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).