1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one

C14H16ClNO2 — CID 114499855

IUPAC1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CCC1=O
InChIInChI=1S/C14H16ClNO2/c1-10-9-16(7-6-13(10)17)14(18)8-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3
InChIKeyNDLBAUNSMHNMNO-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.32
Rot. Bonds2

About 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one

1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one (PubChem CID 114499855) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one
PubChem CID114499855
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CCC1=O
InChIInChI=1S/C14H16ClNO2/c1-10-9-16(7-6-13(10)17)14(18)8-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3
InChIKeyNDLBAUNSMHNMNO-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
2-(2-chlorophenyl)-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 99903244
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(2-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone;hydrochloride
CID 119638440
2-(2-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746322
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002
2-(2-chlorophenyl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 91921417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one (CID 114499855) is 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one is CC1CN(C(=O)Cc2ccccc2Cl)CCC1=O.
What is the InChIKey of 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one?
The InChIKey is NDLBAUNSMHNMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-9-16(7-6-13(10)17)14(18)8-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one?
1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one has a molecular weight of 265.74 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)acetyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 114499855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).