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

C16H20N4O — CID 53191879

IUPAC5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCCN3CC3CC3)n2)ccn1
InChIInChI=1S/C16H20N4O/c1-2-10-20(11-12-4-5-12)14(3-1)16-18-15(19-21-16)13-6-8-17-9-7-13/h6-9,12,14H,1-5,10-11H2
InChIKeyWSXFZFNDIUDJDQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.07
Rot. Bonds4

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

5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 53191879) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID53191879
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCCN3CC3CC3)n2)ccn1
InChIInChI=1S/C16H20N4O/c1-2-10-20(11-12-4-5-12)14(3-1)16-18-15(19-21-16)13-6-8-17-9-7-13/h6-9,12,14H,1-5,10-11H2
InChIKeyWSXFZFNDIUDJDQ-UHFFFAOYSA-N
XLogP3.07
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
1-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95110773
5-[(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 77086922
5-[5-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 162799195
5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 50963117
N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338110
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
CID 111110263
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
CID 111110264
N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 95121139

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 53191879) is 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CCCCN3CC3CC3)n2)ccn1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is WSXFZFNDIUDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-10-20(11-12-4-5-12)14(3-1)16-18-15(19-21-16)13-6-8-17-9-7-13/h6-9,12,14H,1-5,10-11H2.
What are the key properties of 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53191879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).