1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one

C17H23NO2 — CID 79549380

IUPAC1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H23NO2/c1-12-7-8-15(10-13(12)2)17(20)18-9-5-4-6-16(18)11-14(3)19/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyAXYCBOFINDSDHC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one

1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 79549380) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
PubChem CID79549380
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H23NO2/c1-12-7-8-15(10-13(12)2)17(20)18-9-5-4-6-16(18)11-14(3)19/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyAXYCBOFINDSDHC-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
1-[1-(4-bromo-3-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540685
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
1-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541105

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one (CID 79549380) is 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is AXYCBOFINDSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-7-8-15(10-13(12)2)17(20)18-9-5-4-6-16(18)11-14(3)19/h7-8,10,16H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).