4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C17H23ClN4O2 — CID 119725285

IUPAC4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCNCC1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-17(7-10-18-11-8-17)16(22)19-13-14-3-5-15(6-4-14)21-12-2-9-20-21;/h2-6,9,12,18H,7-8,10-11,13H2,1H3,(H,19,22);1H
InChIKeyQYKPLNCDFPBUJP-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.68
Rot. Bonds5

About 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119725285) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119725285
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCNCC1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-17(7-10-18-11-8-17)16(22)19-13-14-3-5-15(6-4-14)21-12-2-9-20-21;/h2-6,9,12,18H,7-8,10-11,13H2,1H3,(H,19,22);1H
InChIKeyQYKPLNCDFPBUJP-UHFFFAOYSA-N
XLogP1.68
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 119694528
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119838766

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119725285) is 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QYKPLNCDFPBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-23-17(7-10-18-11-8-17)16(22)19-13-14-3-5-15(6-4-14)21-12-2-9-20-21;/h2-6,9,12,18H,7-8,10-11,13H2,1H3,(H,19,22);1H.
What are the key properties of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119725285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).