(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol

C15H17N3O4 — CID 56705345

IUPAC(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
SMILESCc1nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1
InChIInChI=1S/C15H17N3O4/c1-9-16-15(17-22-9)18-5-4-11(12(19)7-18)10-2-3-13-14(6-10)21-8-20-13/h2-3,6,11-12,19H,4-5,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyUQSJRQILDVPSDB-NWDGAFQWSA-N
MW303.32 g/mol
LogP1.46
Rot. Bonds2

About (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol

(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol (PubChem CID 56705345) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
PubChem CID56705345
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
SMILESCc1nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1
InChIInChI=1S/C15H17N3O4/c1-9-16-15(17-22-9)18-5-4-11(12(19)7-18)10-2-3-13-14(6-10)21-8-20-13/h2-3,6,11-12,19H,4-5,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyUQSJRQILDVPSDB-NWDGAFQWSA-N
XLogP1.46
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-ol
CID 50952268
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 50949951
(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56720699
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-ol
CID 50965042
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(oxan-4-yl)piperidin-3-ol
CID 56722210
[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 50957972
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(1,4-dithiepan-6-yl)piperidin-3-ol
CID 56715267
[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-cyclopentylmethanone
CID 56716099
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 50971136
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-3-ol
CID 56713649
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-ol
CID 50977076
2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide
CID 166616220

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol (CID 56705345) is (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol is Cc1nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1.
What is the InChIKey of (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The InChIKey is UQSJRQILDVPSDB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-16-15(17-22-9)18-5-4-11(12(19)7-18)10-2-3-13-14(6-10)21-8-20-13/h2-3,6,11-12,19H,4-5,7-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol has a molecular weight of 303.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol is sourced from PubChem (CID 56705345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).