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

C22H30N4O2 — CID 95099875

IUPAC2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)N[C@@H](c1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C22H30N4O2/c27-19(16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)21-24-25-22(28-21)26-14-8-3-9-15-26/h2,6-7,12-13,17,20H,1,3-5,8-11,14-16H2,(H,23,27)/t20-/m0/s1
InChIKeyLGVYXJQMWPYIMA-FQEVSTJZSA-N
MW382.51 g/mol
LogP4.24
Rot. Bonds6

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

2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 95099875) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID95099875
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)N[C@@H](c1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C22H30N4O2/c27-19(16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)21-24-25-22(28-21)26-14-8-3-9-15-26/h2,6-7,12-13,17,20H,1,3-5,8-11,14-16H2,(H,23,27)/t20-/m0/s1
InChIKeyLGVYXJQMWPYIMA-FQEVSTJZSA-N
XLogP4.24
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclobutanecarboxamide
CID 95099882
2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 95099867
2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 53159671
2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 95099678
2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159662
2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
4-bromo-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099739
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600
3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159657
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 95099875) is 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is O=C(CC1CCCCC1)N[C@@H](c1ccccc1)c1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is LGVYXJQMWPYIMA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-19(16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)21-24-25-22(28-21)26-14-8-3-9-15-26/h2,6-7,12-13,17,20H,1,3-5,8-11,14-16H2,(H,23,27)/t20-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 95099875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).