5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C19H25N5O — CID 120839171

IUPAC5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1cc(N2CCCCC2)ncc1-c1noc([C@@]23CCC[C@@H]2CNC3)n1
InChIInChI=1S/C19H25N5O/c1-2-9-24(10-3-1)16-7-6-14(11-21-16)17-22-18(25-23-17)19-8-4-5-15(19)12-20-13-19/h6-7,11,15,20H,1-5,8-10,12-13H2/t15-,19-/m1/s1
InChIKeyZSSDCDLHEAEOQR-DNVCBOLYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds3

About 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 120839171) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID120839171
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1cc(N2CCCCC2)ncc1-c1noc([C@@]23CCC[C@@H]2CNC3)n1
InChIInChI=1S/C19H25N5O/c1-2-9-24(10-3-1)16-7-6-14(11-21-16)17-22-18(25-23-17)19-8-4-5-15(19)12-20-13-19/h6-7,11,15,20H,1-5,8-10,12-13H2/t15-,19-/m1/s1
InChIKeyZSSDCDLHEAEOQR-DNVCBOLYSA-N
XLogP2.76
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955741
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 120838749
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120838748
(3aS,6aS)-3a-[3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 138003232
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[4-[(2-fluorophenoxy)methyl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120840679
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride
CID 120841238
5-[(3aS,6aS)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128971328
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
3-(6-piperidin-1-yl-3-pyridinyl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124851589
1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
CID 138018641
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 56769930

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 120839171) is 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is c1cc(N2CCCCC2)ncc1-c1noc([C@@]23CCC[C@@H]2CNC3)n1.
What is the InChIKey of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is ZSSDCDLHEAEOQR-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-9-24(10-3-1)16-7-6-14(11-21-16)17-22-18(25-23-17)19-8-4-5-15(19)12-20-13-19/h6-7,11,15,20H,1-5,8-10,12-13H2/t15-,19-/m1/s1.
What are the key properties of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 339.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120839171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).