[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C18H24ClN3O — CID 120997781

IUPAC[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H24ClN3O/c19-17-4-2-1-3-14(17)15-11-16(15)18(23)22-8-5-13(12-22)21-9-6-20-7-10-21/h1-4,13,15-16,20H,5-12H2
InChIKeyZOVYDNOXNCVGCK-UHFFFAOYSA-N
MW333.86 g/mol
LogP1.95
Rot. Bonds3

About [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997781) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997781
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H24ClN3O/c19-17-4-2-1-3-14(17)15-11-16(15)18(23)22-8-5-13(12-22)21-9-6-20-7-10-21/h1-4,13,15-16,20H,5-12H2
InChIKeyZOVYDNOXNCVGCK-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 71930075
[2-(2-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022801
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120996310
[1-(2,6-dichlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995743
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576628
3,4-dihydro-1H-isothiochromen-1-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996029
(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 124728643
3-(2-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997146
3-[(3S)-1-[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 98887374

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997781) is [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(C1CC1c1ccccc1Cl)N1CCC(N2CCNCC2)C1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is ZOVYDNOXNCVGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c19-17-4-2-1-3-14(17)15-11-16(15)18(23)22-8-5-13(12-22)21-9-6-20-7-10-21/h1-4,13,15-16,20H,5-12H2.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 333.86 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).