1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide

C15H15Cl2N3O2 — CID 119034202

IUPAC1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
SMILESN#CCC(=O)N1CCCCC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c16-10-4-5-11(17)12(9-10)19-15(22)13-3-1-2-8-20(13)14(21)6-7-18/h4-5,9,13H,1-3,6,8H2,(H,19,22)
InChIKeyMUAPHVZDKIKGMG-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide

1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 119034202) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
PubChem CID119034202
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
SMILESN#CCC(=O)N1CCCCC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c16-10-4-5-11(17)12(9-10)19-15(22)13-3-1-2-8-20(13)14(21)6-7-18/h4-5,9,13H,1-3,6,8H2,(H,19,22)
InChIKeyMUAPHVZDKIKGMG-UHFFFAOYSA-N
XLogP3.23
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611
N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide
CID 155965010
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
CID 124505918
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide
CID 52910121
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 78864921
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 120589192
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide (CID 119034202) is 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide is N#CCC(=O)N1CCCCC1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is MUAPHVZDKIKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-10-4-5-11(17)12(9-10)19-15(22)13-3-1-2-8-20(13)14(21)6-7-18/h4-5,9,13H,1-3,6,8H2,(H,19,22).
What are the key properties of 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide?
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 119034202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).