3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C20H26N4O3 — CID 91778298

IUPAC3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCC(C)Cc1noc(C2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1
InChIInChI=1S/C20H26N4O3/c1-12(2)9-17-22-19(27-23-17)14-6-4-8-24(11-14)20(26)15-10-13-5-3-7-16(13)21-18(15)25/h10,12,14H,3-9,11H2,1-2H3,(H,21,25)
InChIKeyJYVDRGRZXHORAO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.46
Rot. Bonds4

About 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 91778298) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID91778298
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCC(C)Cc1noc(C2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1
InChIInChI=1S/C20H26N4O3/c1-12(2)9-17-22-19(27-23-17)14-6-4-8-24(11-14)20(26)15-10-13-5-3-7-16(13)21-18(15)25/h10,12,14H,3-9,11H2,1-2H3,(H,21,25)
InChIKeyJYVDRGRZXHORAO-UHFFFAOYSA-N
XLogP2.46
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110104163
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125022013
3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124971956
(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 131928416
3-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110106941
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97147629
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
3-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936111
3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 118767734

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 91778298) is 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is CC(C)Cc1noc(C2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1.
What is the InChIKey of 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is JYVDRGRZXHORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12(2)9-17-22-19(27-23-17)14-6-4-8-24(11-14)20(26)15-10-13-5-3-7-16(13)21-18(15)25/h10,12,14H,3-9,11H2,1-2H3,(H,21,25).
What are the key properties of 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 91778298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).