(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone

C16H24N2O — CID 82246016

IUPAC(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC(C)NCC2C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)15-9-17-13(4)10-18(15)16(19)14-7-5-12(3)6-8-14/h5-8,11,13,15,17H,9-10H2,1-4H3
InChIKeyOMAXLGQRVDMWJW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.45
Rot. Bonds2

About (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone

(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 82246016) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone
PubChem CID82246016
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC(C)NCC2C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)15-9-17-13(4)10-18(15)16(19)14-7-5-12(3)6-8-14/h5-8,11,13,15,17H,9-10H2,1-4H3
InChIKeyOMAXLGQRVDMWJW-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82246231
2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone
CID 82250736
[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-methylphenyl)methanone
CID 130315831
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 82248021
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
1,3-benzodioxol-5-yl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980042
(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
5-methyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 107586964
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone (CID 82246016) is (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CC(C)NCC2C(C)C)cc1.
What is the InChIKey of (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OMAXLGQRVDMWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)15-9-17-13(4)10-18(15)16(19)14-7-5-12(3)6-8-14/h5-8,11,13,15,17H,9-10H2,1-4H3.
What are the key properties of (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone?
(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82246016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).