N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H21ClN4O2 — CID 120931808

IUPACN-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)ccc1CNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H21ClN4O2/c1-24-15-11-14(18)4-3-13(15)12-20-16(23)17(5-8-19-9-6-17)22-10-2-7-21-22/h2-4,7,10-11,19H,5-6,8-9,12H2,1H3,(H,20,23)
InChIKeyVXQGKWHDSUHDRS-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.94
Rot. Bonds5

About N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120931808) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120931808
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)ccc1CNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H21ClN4O2/c1-24-15-11-14(18)4-3-13(15)12-20-16(23)17(5-8-19-9-6-17)22-10-2-7-21-22/h2-4,7,10-11,19H,5-6,8-9,12H2,1H3,(H,20,23)
InChIKeyVXQGKWHDSUHDRS-UHFFFAOYSA-N
XLogP1.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923153
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925389
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932903
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918698

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120931808) is N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is COc1cc(Cl)ccc1CNC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is VXQGKWHDSUHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-24-15-11-14(18)4-3-13(15)12-20-16(23)17(5-8-19-9-6-17)22-10-2-7-21-22/h2-4,7,10-11,19H,5-6,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120931808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).