N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H23ClF2N4O2 — CID 120926922

IUPACN-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H22F2N4O2.ClH/c1-13(12-26-16-4-3-14(19)11-15(16)20)23-17(25)18(5-8-21-9-6-18)24-10-2-7-22-24;/h2-4,7,10-11,13,21H,5-6,8-9,12H2,1H3,(H,23,25);1H
InChIKeyDAMSZKDYYWZQDP-UHFFFAOYSA-N
MW400.86 g/mol
LogP2.25
Rot. Bonds6

About N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120926922) has the molecular formula C18H23ClF2N4O2 and a molecular weight of 400.86 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120926922
Molecular FormulaC18H23ClF2N4O2
Molecular Weight400.86 g/mol
Exact Mass400.15
IUPAC NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H22F2N4O2.ClH/c1-13(12-26-16-4-3-14(19)11-15(16)20)23-17(25)18(5-8-21-9-6-18)24-10-2-7-22-24;/h2-4,7,10-11,13,21H,5-6,8-9,12H2,1H3,(H,23,25);1H
InChIKeyDAMSZKDYYWZQDP-UHFFFAOYSA-N
XLogP2.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926238
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926918
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934746
N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120926922) is N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(COc1ccc(F)cc1F)NC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DAMSZKDYYWZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2.ClH/c1-13(12-26-16-4-3-14(19)11-15(16)20)23-17(25)18(5-8-21-9-6-18)24-10-2-7-22-24;/h2-4,7,10-11,13,21H,5-6,8-9,12H2,1H3,(H,23,25);1H.
What are the key properties of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 400.86 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120926922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).