(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone

C21H26N2O — CID 59232586

IUPAC(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C21H26N2O/c1-16(2)17-4-6-18(7-5-17)19-8-10-20(11-9-19)21(24)23-14-12-22(3)13-15-23/h4-11,16H,12-15H2,1-3H3
InChIKeyUNIZSXKUKMNNFV-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.86
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone

(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone (PubChem CID 59232586) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
PubChem CID59232586
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C21H26N2O/c1-16(2)17-4-6-18(7-5-17)19-8-10-20(11-9-19)21(24)23-14-12-22(3)13-15-23/h4-11,16H,12-15H2,1-3H3
InChIKeyUNIZSXKUKMNNFV-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
CID 94283329
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone (CID 59232586) is (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone is CC(C)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
The InChIKey is UNIZSXKUKMNNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)17-4-6-18(7-5-17)19-8-10-20(11-9-19)21(24)23-14-12-22(3)13-15-23/h4-11,16H,12-15H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone has a molecular weight of 322.45 g/mol, XLogP of 3.86, 3 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-(4-propan-2-ylphenyl)phenyl]methanone is sourced from PubChem (CID 59232586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).