N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride

C21H26ClFN6O2 — CID 14426232

IUPACN-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(c1ccccc1F)C1(c2nnc(C)o2)CCN(CCn2cccn2)CC1.Cl
InChIInChI=1S/C21H25FN6O2.ClH/c1-16-24-25-20(30-16)21(28(17(2)29)19-7-4-3-6-18(19)22)8-12-26(13-9-21)14-15-27-11-5-10-23-27;/h3-7,10-11H,8-9,12-15H2,1-2H3;1H
InChIKeyIWRSKBAUZYQCBF-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.18
Rot. Bonds6

About N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride

N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride (PubChem CID 14426232) has the molecular formula C21H26ClFN6O2 and a molecular weight of 448.93 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride
PubChem CID14426232
Molecular FormulaC21H26ClFN6O2
Molecular Weight448.93 g/mol
Exact Mass448.18
IUPAC NameN-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(c1ccccc1F)C1(c2nnc(C)o2)CCN(CCn2cccn2)CC1.Cl
InChIInChI=1S/C21H25FN6O2.ClH/c1-16-24-25-20(30-16)21(28(17(2)29)19-7-4-3-6-18(19)22)8-12-26(13-9-21)14-15-27-11-5-10-23-27;/h3-7,10-11H,8-9,12-15H2,1-2H3;1H
InChIKeyIWRSKBAUZYQCBF-UHFFFAOYSA-N
XLogP3.18
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
CID 14426416
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 155492379
(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol
CID 171911184
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
CID 14426373
1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole
CID 63791757
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
(1R)-2-[(2R)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 95338013
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride (CID 14426232) is N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride is CC(=O)N(c1ccccc1F)C1(c2nnc(C)o2)CCN(CCn2cccn2)CC1.Cl.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is IWRSKBAUZYQCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2.ClH/c1-16-24-25-20(30-16)21(28(17(2)29)19-7-4-3-6-18(19)22)8-12-26(13-9-21)14-15-27-11-5-10-23-27;/h3-7,10-11H,8-9,12-15H2,1-2H3;1H.
What are the key properties of N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride?
N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 448.93 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 14426232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).