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

C19H20N4O — CID 95849713

IUPAC2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1
InChIInChI=1S/C19H20N4O/c1-2-5-15(6-3-1)13-23-12-4-7-17(14-23)19-22-21-18(24-19)16-8-10-20-11-9-16/h1-3,5-6,8-11,17H,4,7,12-14H2/t17-/m0/s1
InChIKeyJPYKQRSWPVYZQC-KRWDZBQOSA-N
MW320.40 g/mol
LogP3.51
Rot. Bonds4

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

2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 95849713) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID95849713
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1
InChIInChI=1S/C19H20N4O/c1-2-5-15(6-3-1)13-23-12-4-7-17(14-23)19-22-21-18(24-19)16-8-10-20-11-9-16/h1-3,5-6,8-11,17H,4,7,12-14H2/t17-/m0/s1
InChIKeyJPYKQRSWPVYZQC-KRWDZBQOSA-N
XLogP3.51
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110235552
2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137304
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 95849713) is 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is JPYKQRSWPVYZQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-5-15(6-3-1)13-23-12-4-7-17(14-23)19-22-21-18(24-19)16-8-10-20-11-9-16/h1-3,5-6,8-11,17H,4,7,12-14H2/t17-/m0/s1.
What are the key properties of 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).