N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide

C17H18Cl2N4O2 — CID 126792477

IUPACN-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
SMILESCn1nccc1C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c1-22-15(7-8-20-22)17(25)23-9-3-2-4-14(23)16(24)21-13-6-5-11(18)10-12(13)19/h5-8,10,14H,2-4,9H2,1H3,(H,21,24)
InChIKeyNSAIHZVMQCIMKY-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.36
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide (PubChem CID 126792477) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
PubChem CID126792477
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
SMILESCn1nccc1C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c1-22-15(7-8-20-22)17(25)23-9-3-2-4-14(23)16(24)21-13-6-5-11(18)10-12(13)19/h5-8,10,14H,2-4,9H2,1H3,(H,21,24)
InChIKeyNSAIHZVMQCIMKY-UHFFFAOYSA-N
XLogP3.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
CID 119040123
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 78864921
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
N-(2,4-dichlorophenyl)-1-(4-methylsulfanyl-3-nitrobenzoyl)piperidine-2-carboxamide
CID 112822333
N-(2,4-dichlorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide (CID 126792477) is N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide is Cn1nccc1C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is NSAIHZVMQCIMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-22-15(7-8-20-22)17(25)23-9-3-2-4-14(23)16(24)21-13-6-5-11(18)10-12(13)19/h5-8,10,14H,2-4,9H2,1H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 126792477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).