N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C22H31ClN4O2 — CID 120928288

IUPACN-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(COC2CCCCC2)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C22H30N4O2.ClH/c27-21(22(10-13-23-14-11-22)26-15-5-12-24-26)25-19-7-4-6-18(16-19)17-28-20-8-2-1-3-9-20;/h4-7,12,15-16,20,23H,1-3,8-11,13-14,17H2,(H,25,27);1H
InChIKeyFHUAPSJKOPBKPT-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.87
Rot. Bonds6

About N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120928288) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120928288
Molecular FormulaC22H31ClN4O2
Molecular Weight418.97 g/mol
Exact Mass418.21
IUPAC NameN-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(COC2CCCCC2)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C22H30N4O2.ClH/c27-21(22(10-13-23-14-11-22)26-15-5-12-24-26)25-19-7-4-6-18(16-19)17-28-20-8-2-1-3-9-20;/h4-7,12,15-16,20,23H,1-3,8-11,13-14,17H2,(H,25,27);1H
InChIKeyFHUAPSJKOPBKPT-UHFFFAOYSA-N
XLogP3.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120928288) is N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(COC2CCCCC2)c1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FHUAPSJKOPBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.ClH/c27-21(22(10-13-23-14-11-22)26-15-5-12-24-26)25-19-7-4-6-18(16-19)17-28-20-8-2-1-3-9-20;/h4-7,12,15-16,20,23H,1-3,8-11,13-14,17H2,(H,25,27);1H.
What are the key properties of N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120928288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).