N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H31ClN4O3 — CID 120918139

IUPACN-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1OCCC.Cl
InChIInChI=1S/C21H30N4O3.ClH/c1-3-14-27-18-7-6-17(16-19(18)28-15-4-2)24-20(26)21(8-11-22-12-9-21)25-13-5-10-23-25;/h5-7,10,13,16,22H,3-4,8-9,11-12,14-15H2,1-2H3,(H,24,26);1H
InChIKeyKRWXTMJBIYOWCS-UHFFFAOYSA-N
MW422.96 g/mol
LogP3.60
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120918139) has the molecular formula C21H31ClN4O3 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120918139
Molecular FormulaC21H31ClN4O3
Molecular Weight422.96 g/mol
Exact Mass422.21
IUPAC NameN-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1OCCC.Cl
InChIInChI=1S/C21H30N4O3.ClH/c1-3-14-27-18-7-6-17(16-19(18)28-15-4-2)24-20(26)21(8-11-22-12-9-21)25-13-5-10-23-25;/h5-7,10,13,16,22H,3-4,8-9,11-12,14-15H2,1-2H3,(H,24,26);1H
InChIKeyKRWXTMJBIYOWCS-UHFFFAOYSA-N
XLogP3.60
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924281
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938699
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120918139) is N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCCOc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1OCCC.Cl.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is KRWXTMJBIYOWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3.ClH/c1-3-14-27-18-7-6-17(16-19(18)28-15-4-2)24-20(26)21(8-11-22-12-9-21)25-13-5-10-23-25;/h5-7,10,13,16,22H,3-4,8-9,11-12,14-15H2,1-2H3,(H,24,26);1H.
What are the key properties of N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120918139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).