(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone

C22H28N2O — CID 110657781

IUPAC(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(C)C2)cc1
InChIInChI=1S/C22H28N2O/c1-17(2)20-9-11-21(12-10-20)22(25)24-14-13-23(18(3)15-24)16-19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3
InChIKeyXASDPDASCZZTPV-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.16
Rot. Bonds4

About (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone

(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 110657781) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID110657781
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(C)C2)cc1
InChIInChI=1S/C22H28N2O/c1-17(2)20-9-11-21(12-10-20)22(25)24-14-13-23(18(3)15-24)16-19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3
InChIKeyXASDPDASCZZTPV-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110657793
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one
CID 138036096
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
1-(4-benzyl-3-methylpiperazin-1-yl)octadecan-1-one
CID 68996989
1-adamantyl-(4-benzyl-3-methylpiperazin-1-yl)methanone
CID 110657845
(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
CID 167138007
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 110657781) is (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(C)C2)cc1.
What is the InChIKey of (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is XASDPDASCZZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(2)20-9-11-21(12-10-20)22(25)24-14-13-23(18(3)15-24)16-19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone?
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 336.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 110657781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).