N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C17H21FN4O — CID 56887203

IUPACN-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCCC1CCn1cccn1
InChIInChI=1S/C17H21FN4O/c18-14-5-3-6-15(13-14)20-17(23)22-11-2-1-7-16(22)8-12-21-10-4-9-19-21/h3-6,9-10,13,16H,1-2,7-8,11-12H2,(H,20,23)
InChIKeyLLHUCHPVVKKJRD-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.50
Rot. Bonds4

About N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 56887203) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID56887203
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCCC1CCn1cccn1
InChIInChI=1S/C17H21FN4O/c18-14-5-3-6-15(13-14)20-17(23)22-11-2-1-7-16(22)8-12-21-10-4-9-19-21/h3-6,9-10,13,16H,1-2,7-8,11-12H2,(H,20,23)
InChIKeyLLHUCHPVVKKJRD-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97434742
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97453580
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97456362
N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72897752
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 56887203) is N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCCCC1CCn1cccn1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is LLHUCHPVVKKJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-5-3-6-15(13-14)20-17(23)22-11-2-1-7-16(22)8-12-21-10-4-9-19-21/h3-6,9-10,13,16H,1-2,7-8,11-12H2,(H,20,23).
What are the key properties of N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56887203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).