1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one

C19H29N3O2 — CID 136569617

IUPAC1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
SMILESCC1(CCc2nc(C3CCC(=O)N(CC4CCCC4)C3)no2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(10-11-19)9-8-16-20-18(21-24-16)15-6-7-17(23)22(13-15)12-14-4-2-3-5-14/h14-15H,2-13H2,1H3
InChIKeyKHYMPAOOCOKUNG-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.70
Rot. Bonds6

About 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one

1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one (PubChem CID 136569617) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
PubChem CID136569617
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
SMILESCC1(CCc2nc(C3CCC(=O)N(CC4CCCC4)C3)no2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(10-11-19)9-8-16-20-18(21-24-16)15-6-7-17(23)22(13-15)12-14-4-2-3-5-14/h14-15H,2-13H2,1H3
InChIKeyKHYMPAOOCOKUNG-UHFFFAOYSA-N
XLogP3.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 167938312
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 29213543
4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 146136420
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264
5-[5-[(5,5-dimethyl-1,4-dioxan-2-yl)methyl]-1,2,4-oxadiazol-3-yl]-1-(2-methylpropyl)piperidin-2-one
CID 167771242
3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 167897260
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
CID 28872437
(3S)-1-(cyclohexylmethyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 97122705
5-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-methylpiperidin-2-one
CID 70731819
5-[[[(3S)-1-(cyclohexylmethyl)-6-oxopiperidine-3-carbonyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97156072
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845855

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one (CID 136569617) is 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one is CC1(CCc2nc(C3CCC(=O)N(CC4CCCC4)C3)no2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
The InChIKey is KHYMPAOOCOKUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(10-11-19)9-8-16-20-18(21-24-16)15-6-7-17(23)22(13-15)12-14-4-2-3-5-14/h14-15H,2-13H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one is sourced from PubChem (CID 136569617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).