1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one

C18H28N2O — CID 120571964

IUPAC1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCNC(C)C1C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-13(2)17(16-8-6-5-7-9-16)12-18(21)20-11-10-19-14(3)15(20)4/h5-9,13-15,17,19H,10-12H2,1-4H3
InChIKeyRWTHWAPJOZDGQA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds4

About 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one

1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one (PubChem CID 120571964) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one
PubChem CID120571964
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCNC(C)C1C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-13(2)17(16-8-6-5-7-9-16)12-18(21)20-11-10-19-14(3)15(20)4/h5-9,13-15,17,19H,10-12H2,1-4H3
InChIKeyRWTHWAPJOZDGQA-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 120573189
1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 123226657
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid
CID 11773472
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 122081287
N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120571953
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride
CID 120569945
4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
CID 119560060
4-(2-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572545

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one (CID 120571964) is 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one is CC(C)C(CC(=O)N1CCNC(C)C1C)c1ccccc1.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one?
The InChIKey is RWTHWAPJOZDGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)17(16-8-6-5-7-9-16)12-18(21)20-11-10-19-14(3)15(20)4/h5-9,13-15,17,19H,10-12H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one?
1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one is sourced from PubChem (CID 120571964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).