N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C20H24N6O — CID 118795948

IUPACN-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)N1CCCCC1CCn1cccn1
InChIInChI=1S/C20H24N6O/c27-20(23-17-5-7-18(8-6-17)24-15-11-21-16-24)26-13-2-1-4-19(26)9-14-25-12-3-10-22-25/h3,5-8,10-12,15-16,19H,1-2,4,9,13-14H2,(H,23,27)
InChIKeyOGFHENPTROMNRN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.55
Rot. Bonds5

About N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 118795948) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID118795948
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)N1CCCCC1CCn1cccn1
InChIInChI=1S/C20H24N6O/c27-20(23-17-5-7-18(8-6-17)24-15-11-21-16-24)26-13-2-1-4-19(26)9-14-25-12-3-10-22-25/h3,5-8,10-12,15-16,19H,1-2,4,9,13-14H2,(H,23,27)
InChIKeyOGFHENPTROMNRN-UHFFFAOYSA-N
XLogP3.55
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97434742
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CID 56887203
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
(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
(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-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
(2R)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97281204

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 118795948) is N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is O=C(Nc1ccc(-n2ccnc2)cc1)N1CCCCC1CCn1cccn1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is OGFHENPTROMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(23-17-5-7-18(8-6-17)24-15-11-21-16-24)26-13-2-1-4-19(26)9-14-25-12-3-10-22-25/h3,5-8,10-12,15-16,19H,1-2,4,9,13-14H2,(H,23,27).
What are the key properties of N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118795948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).