N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C13H23ClN4O — CID 120917135

IUPACN,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-16(4-2)12(18)13(6-9-14-10-7-13)17-11-5-8-15-17;/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3;1H
InChIKeyLICJSFSVNDDGEV-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.25
Rot. Bonds4

About N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120917135) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120917135
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-16(4-2)12(18)13(6-9-14-10-7-13)17-11-5-8-15-17;/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3;1H
InChIKeyLICJSFSVNDDGEV-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931181
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N-cyclopentyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920310
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924716
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-cyclohexyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120916893
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride
CID 120937262
N-(2-amino-2-oxoethyl)-N-propan-2-yl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918753
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120917135) is N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCN(CC)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LICJSFSVNDDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-3-16(4-2)12(18)13(6-9-14-10-7-13)17-11-5-8-15-17;/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3;1H.
What are the key properties of N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120917135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).