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

C21H27FN4O2 — CID 95104314

IUPACN-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NC1CCCCC1
InChIInChI=1S/C21H27FN4O2/c22-16-11-9-15(10-12-16)20-24-21(28-25-20)18-8-4-5-13-26(18)14-19(27)23-17-6-2-1-3-7-17/h9-12,17-18H,1-8,13-14H2,(H,23,27)/t18-/m0/s1
InChIKeyUPOINHONTZNSME-SFHVURJKSA-N
MW386.47 g/mol
LogP3.85
Rot. Bonds5

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

N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 95104314) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
PubChem CID95104314
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NC1CCCCC1
InChIInChI=1S/C21H27FN4O2/c22-16-11-9-15(10-12-16)20-24-21(28-25-20)18-8-4-5-13-26(18)14-19(27)23-17-6-2-1-3-7-17/h9-12,17-18H,1-8,13-14H2,(H,23,27)/t18-/m0/s1
InChIKeyUPOINHONTZNSME-SFHVURJKSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53177876
2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 95104313
cyclohexyl-[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813131
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 97212373
N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152407
(2R)-N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 812741
N-cyclohexyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4532643
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 95104324
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3557408
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-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 95104314) is N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is O=C(CN1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is UPOINHONTZNSME-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27FN4O2/c22-16-11-9-15(10-12-16)20-24-21(28-25-20)18-8-4-5-13-26(18)14-19(27)23-17-6-2-1-3-7-17/h9-12,17-18H,1-8,13-14H2,(H,23,27)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95104314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).