2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

C19H26N4O — CID 95849758

IUPAC2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc([C@H]3CCCN(CC4CCCCC4)C3)o2)c1
InChIInChI=1S/C19H26N4O/c1-2-6-15(7-3-1)13-23-11-5-9-17(14-23)19-22-21-18(24-19)16-8-4-10-20-12-16/h4,8,10,12,15,17H,1-3,5-7,9,11,13-14H2/t17-/m0/s1
InChIKeyINOMNXRYKXBYLL-KRWDZBQOSA-N
MW326.44 g/mol
LogP3.89
Rot. Bonds4

About 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 95849758) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID95849758
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc([C@H]3CCCN(CC4CCCCC4)C3)o2)c1
InChIInChI=1S/C19H26N4O/c1-2-6-15(7-3-1)13-23-11-5-9-17(14-23)19-22-21-18(24-19)16-8-4-10-20-12-16/h4,8,10,12,15,17H,1-3,5-7,9,11,13-14H2/t17-/m0/s1
InChIKeyINOMNXRYKXBYLL-KRWDZBQOSA-N
XLogP3.89
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137840
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615615
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137843
2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 95849758) is 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc([C@H]3CCCN(CC4CCCCC4)C3)o2)c1.
What is the InChIKey of 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is INOMNXRYKXBYLL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-6-15(7-3-1)13-23-11-5-9-17(14-23)19-22-21-18(24-19)16-8-4-10-20-12-16/h4,8,10,12,15,17H,1-3,5-7,9,11,13-14H2/t17-/m0/s1.
What are the key properties of 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 326.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95849758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).