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

C17H24N2O2 — CID 119699755

IUPAC1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(12-18-2)17(21)19-10-8-15(9-11-19)16(20)14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3
InChIKeyZTSLVFDOLCUQMQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds5

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

1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 119699755) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID119699755
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(12-18-2)17(21)19-10-8-15(9-11-19)16(20)14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3
InChIKeyZTSLVFDOLCUQMQ-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
(2S)-2-amino-1-(4-benzoylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119699780
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
N,N-dimethyl-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide
CID 79202506
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
CID 42934338
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79201986

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 119699755) is 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is ZTSLVFDOLCUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(12-18-2)17(21)19-10-8-15(9-11-19)16(20)14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 119699755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).