2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide

C13H14Cl2N2O2 — CID 62490404

IUPAC2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CN1
InChIInChI=1S/C13H14Cl2N2O2/c14-9-2-1-8(11(15)6-9)5-13(19)17-10-3-4-12(18)16-7-10/h1-2,6,10H,3-5,7H2,(H,16,18)(H,17,19)
InChIKeyMAIFZNZMAKOIJP-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.93
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide

2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide (PubChem CID 62490404) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
PubChem CID62490404
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CN1
InChIInChI=1S/C13H14Cl2N2O2/c14-9-2-1-8(11(15)6-9)5-13(19)17-10-3-4-12(18)16-7-10/h1-2,6,10H,3-5,7H2,(H,16,18)(H,17,19)
InChIKeyMAIFZNZMAKOIJP-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
CID 95368466
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
2-(2,4-dichlorophenyl)-N-(4-phenylcyclohexyl)acetamide
CID 22076139
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
2-(4-acetamidophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62898113
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide (CID 62490404) is 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide is O=C1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CN1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide?
The InChIKey is MAIFZNZMAKOIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-9-2-1-8(11(15)6-9)5-13(19)17-10-3-4-12(18)16-7-10/h1-2,6,10H,3-5,7H2,(H,16,18)(H,17,19).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide has a molecular weight of 301.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 62490404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).