4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride

C18H21Cl2N5O — CID 120938699

IUPAC4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2ncccc2c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H19N5O.2ClH/c24-17(18(6-10-19-11-7-18)23-12-2-9-21-23)22-15-4-5-16-14(13-15)3-1-8-20-16;;/h1-5,8-9,12-13,19H,6-7,10-11H2,(H,22,24);2*1H
InChIKeyRZSVCMANDFUYEW-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.99
Rot. Bonds3

About 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride

4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120938699) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120938699
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2ncccc2c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H19N5O.2ClH/c24-17(18(6-10-19-11-7-18)23-12-2-9-21-23)22-15-4-5-16-14(13-15)3-1-8-20-16;;/h1-5,8-9,12-13,19H,6-7,10-11H2,(H,22,24);2*1H
InChIKeyRZSVCMANDFUYEW-UHFFFAOYSA-N
XLogP2.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921174
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(3-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942320
3-ethyl-N-quinolin-6-ylpyrrolidine-3-carboxamide
CID 63141954
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride (CID 120938699) is 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2ncccc2c1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is RZSVCMANDFUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O.2ClH/c24-17(18(6-10-19-11-7-18)23-12-2-9-21-23)22-15-4-5-16-14(13-15)3-1-8-20-16;;/h1-5,8-9,12-13,19H,6-7,10-11H2,(H,22,24);2*1H.
What are the key properties of 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride?
4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 394.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).