3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C15H26N4O — CID 63257101

IUPAC3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCC(C3CCCN3)CC2)n1
InChIInChI=1S/C15H26N4O/c1-2-4-14-17-15(20-18-14)11-19-9-6-12(7-10-19)13-5-3-8-16-13/h12-13,16H,2-11H2,1H3
InChIKeyZGYOJABGYSHDCB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds5

About 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 63257101) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID63257101
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCC(C3CCCN3)CC2)n1
InChIInChI=1S/C15H26N4O/c1-2-4-14-17-15(20-18-14)11-19-9-6-12(7-10-19)13-5-3-8-16-13/h12-13,16H,2-11H2,1H3
InChIKeyZGYOJABGYSHDCB-UHFFFAOYSA-N
XLogP1.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
2-methyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 63259094
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
5-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 154774973
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 29001704
5-tert-butyl-3-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60977909
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 63257101) is 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CCCc1noc(CN2CCC(C3CCCN3)CC2)n1.
What is the InChIKey of 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is ZGYOJABGYSHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-4-14-17-15(20-18-14)11-19-9-6-12(7-10-19)13-5-3-8-16-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63257101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).