(4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone

C21H24N2O — CID 902950

IUPAC(4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21(19-11-12-19)23-15-13-22(14-16-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyFEOXLCSUKXTKKP-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.33
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone

(4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone (PubChem CID 902950) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone
PubChem CID902950
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21(19-11-12-19)23-15-13-22(14-16-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyFEOXLCSUKXTKKP-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
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(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
Methyl-AP-237
CID 6447699
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CID 2971413

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone (CID 902950) is (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone is O=C(C1CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone?
The InChIKey is FEOXLCSUKXTKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(19-11-12-19)23-15-13-22(14-16-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone?
(4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone has a molecular weight of 320.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 902950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).