1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one

C16H21NO2 — CID 79549536

IUPAC1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cccc(C)c1
InChIInChI=1S/C16H21NO2/c1-12-6-5-7-14(10-12)16(19)17-9-4-3-8-15(17)11-13(2)18/h5-7,10,15H,3-4,8-9,11H2,1-2H3
InChIKeyZUTZWVJQQMXMJD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds3

About 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one

1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 79549536) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
PubChem CID79549536
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cccc(C)c1
InChIInChI=1S/C16H21NO2/c1-12-6-5-7-14(10-12)16(19)17-9-4-3-8-15(17)11-13(2)18/h5-7,10,15H,3-4,8-9,11H2,1-2H3
InChIKeyZUTZWVJQQMXMJD-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one (CID 79549536) is 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1cccc(C)c1.
What is the InChIKey of 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is ZUTZWVJQQMXMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-6-5-7-14(10-12)16(19)17-9-4-3-8-15(17)11-13(2)18/h5-7,10,15H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).