2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one

C15H23N3O — CID 79195732

IUPAC2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCNCC(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-13(12-16-2)15(19)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyJWVFAZHRQBUWSI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one

2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 79195732) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID79195732
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCNCC(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-13(12-16-2)15(19)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyJWVFAZHRQBUWSI-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
CID 119708836
3-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]propanoic acid
CID 119912257
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride
CID 119898826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 79195732) is 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one is CNCC(C)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is JWVFAZHRQBUWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(12-16-2)15(19)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 79195732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).