N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H21FN4O2 — CID 120923697

IUPACN-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H21FN4O2/c18-14-2-4-15(5-3-14)24-13-11-20-16(23)17(6-9-19-10-7-17)22-12-1-8-21-22/h1-5,8,12,19H,6-7,9-11,13H2,(H,20,23)
InChIKeyQXPNCTJEOAJMGT-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120923697) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120923697
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H21FN4O2/c18-14-2-4-15(5-3-14)24-13-11-20-16(23)17(6-9-19-10-7-17)22-12-1-8-21-22/h1-5,8,12,19H,6-7,9-11,13H2,(H,20,23)
InChIKeyQXPNCTJEOAJMGT-UHFFFAOYSA-N
XLogP1.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120920544
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941709

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120923697) is N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(NCCOc1ccc(F)cc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is QXPNCTJEOAJMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-14-2-4-15(5-3-14)24-13-11-20-16(23)17(6-9-19-10-7-17)22-12-1-8-21-22/h1-5,8,12,19H,6-7,9-11,13H2,(H,20,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120923697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).