1-(2,4-dimethylbenzoyl)piperidin-4-one

C14H17NO2 — CID 24709834

IUPAC1-(2,4-dimethylbenzoyl)piperidin-4-one
SMILESCc1ccc(C(=O)N2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-10-3-4-13(11(2)9-10)14(17)15-7-5-12(16)6-8-15/h3-4,9H,5-8H2,1-2H3
InChIKeyHUGOBGXJEPLGGS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.11
Rot. Bonds1

About 1-(2,4-dimethylbenzoyl)piperidin-4-one

1-(2,4-dimethylbenzoyl)piperidin-4-one (PubChem CID 24709834) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2,4-dimethylbenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylbenzoyl)piperidin-4-one
PubChem CID24709834
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(2,4-dimethylbenzoyl)piperidin-4-one
SMILESCc1ccc(C(=O)N2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-10-3-4-13(11(2)9-10)14(17)15-7-5-12(16)6-8-15/h3-4,9H,5-8H2,1-2H3
InChIKeyHUGOBGXJEPLGGS-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
CID 82484142
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
ethyl 4-(2,4-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808960
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
CID 112548248

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylbenzoyl)piperidin-4-one?
The IUPAC name of 1-(2,4-dimethylbenzoyl)piperidin-4-one (CID 24709834) is 1-(2,4-dimethylbenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(2,4-dimethylbenzoyl)piperidin-4-one?
The canonical SMILES for 1-(2,4-dimethylbenzoyl)piperidin-4-one is Cc1ccc(C(=O)N2CCC(=O)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylbenzoyl)piperidin-4-one?
The InChIKey is HUGOBGXJEPLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-3-4-13(11(2)9-10)14(17)15-7-5-12(16)6-8-15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylbenzoyl)piperidin-4-one?
1-(2,4-dimethylbenzoyl)piperidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylbenzoyl)piperidin-4-one is sourced from PubChem (CID 24709834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).