3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one

C16H24N2O — CID 3151806

IUPAC3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
SMILESCC(C)C(C(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(2)15(14-7-5-4-6-8-14)16(19)18-11-9-17(3)10-12-18/h4-8,13,15H,9-12H2,1-3H3
InChIKeyFTUOAYQWYKEQNZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds3

About 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one

3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one (PubChem CID 3151806) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
PubChem CID3151806
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
SMILESCC(C)C(C(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(2)15(14-7-5-4-6-8-14)16(19)18-11-9-17(3)10-12-18/h4-8,13,15H,9-12H2,1-3H3
InChIKeyFTUOAYQWYKEQNZ-UHFFFAOYSA-N
XLogP2.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
1-(4-butylsulfonylpiperazin-1-yl)-3-methyl-2-phenylbutan-1-one
CID 110346479
1-(4-methyl-1,4-diazepan-1-yl)-2-phenylbutan-1-one
CID 6467944
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
CID 125054281
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one?
The IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one (CID 3151806) is 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one?
The canonical SMILES for 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one is CC(C)C(C(=O)N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one?
The InChIKey is FTUOAYQWYKEQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)15(14-7-5-4-6-8-14)16(19)18-11-9-17(3)10-12-18/h4-8,13,15H,9-12H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one?
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 3151806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).