1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone

C19H29N3O4 — CID 91832507

IUPAC1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
SMILESO=C(COCC1CCCCO1)N1CCC(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H29N3O4/c23-18(13-24-12-16-3-1-2-10-25-16)22-8-6-14(7-9-22)11-17-20-19(26-21-17)15-4-5-15/h14-16H,1-13H2
InChIKeyKLFPUAVULBFHME-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.31
Rot. Bonds7

About 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone

1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone (PubChem CID 91832507) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
PubChem CID91832507
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
SMILESO=C(COCC1CCCCO1)N1CCC(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H29N3O4/c23-18(13-24-12-16-3-1-2-10-25-16)22-8-6-14(7-9-22)11-17-20-19(26-21-17)15-4-5-15/h14-16H,1-13H2
InChIKeyKLFPUAVULBFHME-UHFFFAOYSA-N
XLogP2.31
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone with MolForge

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Related Compounds

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 91774958
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 110263923
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97136574
1-[4-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 92567746
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The IUPAC name of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone (CID 91832507) is 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone is O=C(COCC1CCCCO1)N1CCC(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The InChIKey is KLFPUAVULBFHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c23-18(13-24-12-16-3-1-2-10-25-16)22-8-6-14(7-9-22)11-17-20-19(26-21-17)15-4-5-15/h14-16H,1-13H2.
What are the key properties of 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone has a molecular weight of 363.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone is sourced from PubChem (CID 91832507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).