N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride

C21H31ClN4O — CID 119296837

IUPACN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-25(21(26)19-13-7-8-14-22-19)15-9-3-6-12-18-16-20(24-23-18)17-10-4-2-5-11-17;/h2,4-5,10-11,16,19,22H,3,6-9,12-15H2,1H3,(H,23,24);1H
InChIKeyVADFSQLAWLRWHC-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.81
Rot. Bonds8

About N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119296837) has the molecular formula C21H31ClN4O and a molecular weight of 390.96 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119296837
Molecular FormulaC21H31ClN4O
Molecular Weight390.96 g/mol
Exact Mass390.22
IUPAC NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-25(21(26)19-13-7-8-14-22-19)15-9-3-6-12-18-16-20(24-23-18)17-10-4-2-5-11-17;/h2,4-5,10-11,16,19,22H,3,6-9,12-15H2,1H3,(H,23,24);1H
InChIKeyVADFSQLAWLRWHC-UHFFFAOYSA-N
XLogP3.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737084
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119746043
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
CID 119737107
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736663
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553208
2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 55970665
N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
CID 55814815

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride (CID 119296837) is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCCN1.Cl.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is VADFSQLAWLRWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.ClH/c1-25(21(26)19-13-7-8-14-22-19)15-9-3-6-12-18-16-20(24-23-18)17-10-4-2-5-11-17;/h2,4-5,10-11,16,19,22H,3,6-9,12-15H2,1H3,(H,23,24);1H.
What are the key properties of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride?
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).