N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H23Cl3N4O — CID 120930429

IUPACN-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1(n2cccn2)CCNCC1)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C18H22Cl2N4O.ClH/c1-13(16-14(19)4-2-5-15(16)20)12-22-17(25)18(6-9-21-10-7-18)24-11-3-8-23-24;/h2-5,8,11,13,21H,6-7,9-10,12H2,1H3,(H,22,25);1H
InChIKeyASYSJGRIDXRJAK-UHFFFAOYSA-N
MW417.77 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120930429) has the molecular formula C18H23Cl3N4O and a molecular weight of 417.77 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120930429
Molecular FormulaC18H23Cl3N4O
Molecular Weight417.77 g/mol
Exact Mass416.09
IUPAC NameN-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1(n2cccn2)CCNCC1)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C18H22Cl2N4O.ClH/c1-13(16-14(19)4-2-5-15(16)20)12-22-17(25)18(6-9-21-10-7-18)24-11-3-8-23-24;/h2-5,8,11,13,21H,6-7,9-10,12H2,1H3,(H,22,25);1H
InChIKeyASYSJGRIDXRJAK-UHFFFAOYSA-N
XLogP3.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.77
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935923
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120937887
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929446
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120930429) is N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(CNC(=O)C1(n2cccn2)CCNCC1)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ASYSJGRIDXRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O.ClH/c1-13(16-14(19)4-2-5-15(16)20)12-22-17(25)18(6-9-21-10-7-18)24-11-3-8-23-24;/h2-5,8,11,13,21H,6-7,9-10,12H2,1H3,(H,22,25);1H.
What are the key properties of N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 417.77 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).