(4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone

C18H20N2O — CID 750256

IUPAC(4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H20N2O/c1-19-11-13-20(14-12-19)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyFEHCPEOQHAUSNA-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.74
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone

(4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone (PubChem CID 750256) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
PubChem CID750256
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H20N2O/c1-19-11-13-20(14-12-19)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyFEHCPEOQHAUSNA-UHFFFAOYSA-N
XLogP2.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
2-Methyl-N,N-diethylbenzamide
CID 75945
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
N,N-Diethyl-p-toluamide
CID 75946
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone (CID 750256) is (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone is CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is FEHCPEOQHAUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-11-13-20(14-12-19)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
(4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 750256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).