[2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

C21H23ClN2O — CID 52942432

IUPAC[2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCN1CCN(c2ccc(C(=O)C3CC3c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H23ClN2O/c1-23-10-12-24(13-11-23)18-8-4-16(5-9-18)21(25)20-14-19(20)15-2-6-17(22)7-3-15/h2-9,19-20H,10-14H2,1H3
InChIKeyUSPSSAUXBPWGIY-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.08
Rot. Bonds4

About [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

[2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (PubChem CID 52942432) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
PubChem CID52942432
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name[2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCN1CCN(c2ccc(C(=O)C3CC3c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H23ClN2O/c1-23-10-12-24(13-11-23)18-8-4-16(5-9-18)21(25)20-14-19(20)15-2-6-17(22)7-3-15/h2-9,19-20H,10-14H2,1H3
InChIKeyUSPSSAUXBPWGIY-UHFFFAOYSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (CID 52942432) is [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is CN1CCN(c2ccc(C(=O)C3CC3c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The InChIKey is USPSSAUXBPWGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-23-10-12-24(13-11-23)18-8-4-16(5-9-18)21(25)20-14-19(20)15-2-6-17(22)7-3-15/h2-9,19-20H,10-14H2,1H3.
What are the key properties of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone has a molecular weight of 354.88 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 52942432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).