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

C18H25ClN4O2 — CID 120921521

IUPACN-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccccc1CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-2-24-16-7-4-3-6-15(16)14-20-17(23)18(8-11-19-12-9-18)22-13-5-10-21-22;/h3-7,10,13,19H,2,8-9,11-12,14H2,1H3,(H,20,23);1H
InChIKeyMLVSJHRFROLOFW-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.10
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120921521) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120921521
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccccc1CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-2-24-16-7-4-3-6-15(16)14-20-17(23)18(8-11-19-12-9-18)22-13-5-10-21-22;/h3-7,10,13,19H,2,8-9,11-12,14H2,1H3,(H,20,23);1H
InChIKeyMLVSJHRFROLOFW-UHFFFAOYSA-N
XLogP2.10
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932903
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925389
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923913
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120921521) is N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCOc1ccccc1CNC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MLVSJHRFROLOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-2-24-16-7-4-3-6-15(16)14-20-17(23)18(8-11-19-12-9-18)22-13-5-10-21-22;/h3-7,10,13,19H,2,8-9,11-12,14H2,1H3,(H,20,23);1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120921521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).