1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one

C17H24N2O2 — CID 59178266

IUPAC1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18(2)11-10-16(20)14-8-12-19(13-9-14)17(21)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyAOWOPNWHZIHRMS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds5

About 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one

1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one (PubChem CID 59178266) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
PubChem CID59178266
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18(2)11-10-16(20)14-8-12-19(13-9-14)17(21)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyAOWOPNWHZIHRMS-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone
CID 166234702

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one (CID 59178266) is 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one?
The InChIKey is AOWOPNWHZIHRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18(2)11-10-16(20)14-8-12-19(13-9-14)17(21)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one?
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 59178266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).