3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one

C19H30N4O4 — CID 167897260

IUPAC3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
SMILESCOC1CCCCN(Cc2nc(C3CCC(=O)N(CC(C)C)C3)no2)C1=O
InChIInChI=1S/C19H30N4O4/c1-13(2)10-23-11-14(7-8-17(23)24)18-20-16(27-21-18)12-22-9-5-4-6-15(26-3)19(22)25/h13-15H,4-12H2,1-3H3
InChIKeyWROCDPQBSNGVND-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.96
Rot. Bonds6

About 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one

3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one (PubChem CID 167897260) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
PubChem CID167897260
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
SMILESCOC1CCCCN(Cc2nc(C3CCC(=O)N(CC(C)C)C3)no2)C1=O
InChIInChI=1S/C19H30N4O4/c1-13(2)10-23-11-14(7-8-17(23)24)18-20-16(27-21-18)12-22-9-5-4-6-15(26-3)19(22)25/h13-15H,4-12H2,1-3H3
InChIKeyWROCDPQBSNGVND-UHFFFAOYSA-N
XLogP1.96
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one 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-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
CID 28872437
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
1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
CID 167984827
1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 136569617
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 29213543
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64967743
1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione
CID 94171437
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
3-cyclopentyl-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128989830
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
CID 139951314
3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91918458

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one?
The IUPAC name of 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one (CID 167897260) is 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one.
What is the SMILES notation for 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one?
The canonical SMILES for 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one is COC1CCCCN(Cc2nc(C3CCC(=O)N(CC(C)C)C3)no2)C1=O.
What is the InChIKey of 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one?
The InChIKey is WROCDPQBSNGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-13(2)10-23-11-14(7-8-17(23)24)18-20-16(27-21-18)12-22-9-5-4-6-15(26-3)19(22)25/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one?
3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one has a molecular weight of 378.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one is sourced from PubChem (CID 167897260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).