N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H25ClN4O2 — CID 120918589

IUPACN-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1C(C)NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14(15-6-3-4-7-16(15)24-2)21-17(23)18(8-11-19-12-9-18)22-13-5-10-20-22;/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,21,23);1H
InChIKeyLTJAOAOOJRQMMV-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120918589) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120918589
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1C(C)NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14(15-6-3-4-7-16(15)24-2)21-17(23)18(8-11-19-12-9-18)22-13-5-10-20-22;/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,21,23);1H
InChIKeyLTJAOAOOJRQMMV-UHFFFAOYSA-N
XLogP2.27
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931578
4-ethyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 63129157
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926922
N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926238
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931761
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120918589) is N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is COc1ccccc1C(C)NC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LTJAOAOOJRQMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-14(15-6-3-4-7-16(15)24-2)21-17(23)18(8-11-19-12-9-18)22-13-5-10-20-22;/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120918589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).