N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

C21H27FN4O2 — CID 53152407

IUPACN-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NC1CCCCC1
InChIInChI=1S/C21H27FN4O2/c22-17-6-4-5-16(13-17)20-24-21(28-25-20)15-9-11-26(12-10-15)14-19(27)23-18-7-2-1-3-8-18/h4-6,13,15,18H,1-3,7-12,14H2,(H,23,27)
InChIKeyNBHNEQIAJRIRHR-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.50
Rot. Bonds5

About N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 53152407) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
PubChem CID53152407
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NC1CCCCC1
InChIInChI=1S/C21H27FN4O2/c22-17-6-4-5-16(13-17)20-24-21(28-25-20)15-9-11-26(12-10-15)14-19(27)23-18-7-2-1-3-8-18/h4-6,13,15,18H,1-3,7-12,14H2,(H,23,27)
InChIKeyNBHNEQIAJRIRHR-UHFFFAOYSA-N
XLogP3.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152337
N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 125001869
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
N-cyclohexyl-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53177876
N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104314
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
N-(2,4-dimethylphenyl)-2-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152305
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 95104324
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 53152407) is N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is NBHNEQIAJRIRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c22-17-6-4-5-16(13-17)20-24-21(28-25-20)15-9-11-26(12-10-15)14-19(27)23-18-7-2-1-3-8-18/h4-6,13,15,18H,1-3,7-12,14H2,(H,23,27).
What are the key properties of N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 53152407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).