2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide

C13H15ClN2O3 — CID 66875568

IUPAC2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-2-4-11(10)19-9-5-7-16(8-6-9)13(18)12(15)17/h1-4,9H,5-8H2,(H2,15,17)
InChIKeyWWKYZQITVJEKCF-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.20
Rot. Bonds2

About 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide

2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide (PubChem CID 66875568) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
PubChem CID66875568
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-2-4-11(10)19-9-5-7-16(8-6-9)13(18)12(15)17/h1-4,9H,5-8H2,(H2,15,17)
InChIKeyWWKYZQITVJEKCF-UHFFFAOYSA-N
XLogP1.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
CID 87415967
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide
CID 87416022
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
CID 44577727
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 70715112
(2S)-2-amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 91647253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide (CID 66875568) is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide is NC(=O)C(=O)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is WWKYZQITVJEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-3-1-2-4-11(10)19-9-5-7-16(8-6-9)13(18)12(15)17/h1-4,9H,5-8H2,(H2,15,17).
What are the key properties of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide?
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 282.73 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 66875568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).