1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one

C14H16ClNO3 — CID 39381768

IUPAC1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H16ClNO3/c15-11-2-1-3-13(10-11)19-9-6-14(18)16-7-4-12(17)5-8-16/h1-3,10H,4-9H2
InChIKeyVMLKGBVNTYGPNC-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one

1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one (PubChem CID 39381768) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
PubChem CID39381768
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H16ClNO3/c15-11-2-1-3-13(10-11)19-9-6-14(18)16-7-4-12(17)5-8-16/h1-3,10H,4-9H2
InChIKeyVMLKGBVNTYGPNC-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
3-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43428056
4-[3-(3-chlorophenoxy)propanoyl]piperazine-2,6-dione
CID 66083524
3-(3-chlorophenoxy)-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39944808
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
3-(3-chlorophenoxy)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 55678709
3-(3-chlorophenoxy)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 55678633
1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425847
3-(3-chlorophenoxy)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537192
CID 131885829
CID 131885829
3-(3-chlorophenoxy)propanamide
CID 23512799
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4739871

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one?
The IUPAC name of 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one (CID 39381768) is 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one?
The canonical SMILES for 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one is O=C1CCN(C(=O)CCOc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one?
The InChIKey is VMLKGBVNTYGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-2-1-3-13(10-11)19-9-6-14(18)16-7-4-12(17)5-8-16/h1-3,10H,4-9H2.
What are the key properties of 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one?
1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one has a molecular weight of 281.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one is sourced from PubChem (CID 39381768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).