1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide

C14H16Cl2N2O2 — CID 43228705

IUPAC1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-3-4-11(12(16)6-10)13(19)8-18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)
InChIKeySOBMXGVFINYTII-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 43228705) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID43228705
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-3-4-11(12(16)6-10)13(19)8-18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)
InChIKeySOBMXGVFINYTII-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide (CID 43228705) is 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is SOBMXGVFINYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-10-3-4-11(12(16)6-10)13(19)8-18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43228705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).