N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H31ClN4O — CID 120933221

IUPACN-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)CC1(CNC(=O)C2(n3cccn3)CCNCC2)CCC1.Cl
InChIInChI=1S/C18H30N4O.ClH/c1-15(2)13-17(5-3-6-17)14-20-16(23)18(7-10-19-11-8-18)22-12-4-9-21-22;/h4,9,12,15,19H,3,5-8,10-11,13-14H2,1-2H3,(H,20,23);1H
InChIKeyZQWWGULPTUWDCG-UHFFFAOYSA-N
MW354.93 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120933221) has the molecular formula C18H31ClN4O and a molecular weight of 354.93 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120933221
Molecular FormulaC18H31ClN4O
Molecular Weight354.93 g/mol
Exact Mass354.22
IUPAC NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)CC1(CNC(=O)C2(n3cccn3)CCNCC2)CCC1.Cl
InChIInChI=1S/C18H30N4O.ClH/c1-15(2)13-17(5-3-6-17)14-20-16(23)18(7-10-19-11-8-18)22-12-4-9-21-22;/h4,9,12,15,19H,3,5-8,10-11,13-14H2,1-2H3,(H,20,23);1H
InChIKeyZQWWGULPTUWDCG-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937238
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937231
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936238
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918503
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935930
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120933221) is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(C)CC1(CNC(=O)C2(n3cccn3)CCNCC2)CCC1.Cl.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZQWWGULPTUWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.ClH/c1-15(2)13-17(5-3-6-17)14-20-16(23)18(7-10-19-11-8-18)22-12-4-9-21-22;/h4,9,12,15,19H,3,5-8,10-11,13-14H2,1-2H3,(H,20,23);1H.
What are the key properties of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 354.93 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120933221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).