1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone

C16H21NO2 — CID 82121250

IUPAC1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H21NO2/c1-11-4-5-15(12(2)10-11)16(19)14-6-8-17(9-7-14)13(3)18/h4-5,10,14H,6-9H2,1-3H3
InChIKeyYJNZWZOHLSIDGH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds2

About 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone

1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone (PubChem CID 82121250) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
PubChem CID82121250
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H21NO2/c1-11-4-5-15(12(2)10-11)16(19)14-6-8-17(9-7-14)13(3)18/h4-5,10,14H,6-9H2,1-3H3
InChIKeyYJNZWZOHLSIDGH-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
CID 47055293
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 31831854
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
4-bromo-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 31827988
N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 46401834

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone (CID 82121250) is 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone?
The InChIKey is YJNZWZOHLSIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-4-5-15(12(2)10-11)16(19)14-6-8-17(9-7-14)13(3)18/h4-5,10,14H,6-9H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone?
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 82121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).