1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one

C16H21NO3 — CID 98019320

IUPAC1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
SMILESCC(C)Oc1ccc(CC(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C16H21NO3/c1-12(2)20-15-5-3-13(4-6-15)11-16(19)17-9-7-14(18)8-10-17/h3-6,12H,7-11H2,1-2H3
InChIKeyAQZCKPCWJKKTEJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one

1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one (PubChem CID 98019320) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
PubChem CID98019320
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
SMILESCC(C)Oc1ccc(CC(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C16H21NO3/c1-12(2)20-15-5-3-13(4-6-15)11-16(19)17-9-7-14(18)8-10-17/h3-6,12H,7-11H2,1-2H3
InChIKeyAQZCKPCWJKKTEJ-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813014
3,3-dimethyl-1-[4-[2-(4-propan-2-yloxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809560
2-(4-fluorophenyl)-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077726
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 110809986
1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-one
CID 82486070
N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-one
CID 82472618
(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
1-[4-(2-phenylacetyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534738
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one (CID 98019320) is 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one is CC(C)Oc1ccc(CC(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one?
The InChIKey is AQZCKPCWJKKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)20-15-5-3-13(4-6-15)11-16(19)17-9-7-14(18)8-10-17/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one?
1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one is sourced from PubChem (CID 98019320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).