(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate

C15H18ClNO3 — CID 23738201

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C15H18ClNO3/c16-13-6-4-12(5-7-13)10-15(19)20-11-14(18)17-8-2-1-3-9-17/h4-7H,1-3,8-11H2
InChIKeyXJZRVRHYYPIUEU-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.44
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate

(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate (PubChem CID 23738201) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate
PubChem CID23738201
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C15H18ClNO3/c16-13-6-4-12(5-7-13)10-15(19)20-11-14(18)17-8-2-1-3-9-17/h4-7H,1-3,8-11H2
InChIKeyXJZRVRHYYPIUEU-UHFFFAOYSA-N
XLogP2.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(4-chlorophenyl)-4-oxobutanoate
CID 78760203
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356068
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356069
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
CID 170159866
(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 55313686
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate (CID 23738201) is (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate?
The InChIKey is XJZRVRHYYPIUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-13-6-4-12(5-7-13)10-15(19)20-11-14(18)17-8-2-1-3-9-17/h4-7H,1-3,8-11H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate has a molecular weight of 295.77 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 23738201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).