1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C18H29N3O3 — CID 167934848

IUPAC1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nnc(COC3CCC(C)CC3)o2)[C@@H]1C
InChIInChI=1S/C18H29N3O3/c1-12-6-8-15(9-7-12)23-11-17-19-20-18(24-17)16-5-4-10-21(13(16)2)14(3)22/h12-13,15-16H,4-11H2,1-3H3/t12?,13-,15?,16-/m0/s1
InChIKeyBVADJPNHUKBGDZ-FQSHHYAASA-N
MW335.45 g/mol
LogP3.28
Rot. Bonds4

About 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 167934848) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID167934848
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nnc(COC3CCC(C)CC3)o2)[C@@H]1C
InChIInChI=1S/C18H29N3O3/c1-12-6-8-15(9-7-12)23-11-17-19-20-18(24-17)16-5-4-10-21(13(16)2)14(3)22/h12-13,15-16H,4-11H2,1-3H3/t12?,13-,15?,16-/m0/s1
InChIKeyBVADJPNHUKBGDZ-FQSHHYAASA-N
XLogP3.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 154762094
4-[(E)-2-[5-[(2S,3S)-1-acetyl-2-methylpiperidin-3-yl]-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
CID 167909430
4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 166393675
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
CID 161499473
(2R)-2-[5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129332397
2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
CID 136530308
3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107181461
[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854080
2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole
CID 167800402
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 167934848) is 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2nnc(COC3CCC(C)CC3)o2)[C@@H]1C.
What is the InChIKey of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is BVADJPNHUKBGDZ-FQSHHYAASA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12-6-8-15(9-7-12)23-11-17-19-20-18(24-17)16-5-4-10-21(13(16)2)14(3)22/h12-13,15-16H,4-11H2,1-3H3/t12?,13-,15?,16-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167934848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).