(1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

C21H24N2O — CID 71456923

IUPAC(1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3ccccc3)CC2c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-22-12-14-23(15-13-22)20(24)21(18-10-6-3-7-11-18)16-19(21)17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyMLIHDSVHTICHFF-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.89
Rot. Bonds3

About (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

(1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 71456923) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID71456923
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3ccccc3)CC2c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-22-12-14-23(15-13-22)20(24)21(18-10-6-3-7-11-18)16-19(21)17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyMLIHDSVHTICHFF-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 71456923) is (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(c3ccccc3)CC2c2ccccc2)CC1.
What is the InChIKey of (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MLIHDSVHTICHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22-12-14-23(15-13-22)20(24)21(18-10-6-3-7-11-18)16-19(21)17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3.
What are the key properties of (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
(1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diphenylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71456923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).