3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide

C19H24N4O4 — CID 135111285

IUPAC3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)N2CCCCC2c2nc(C)no2)c1
InChIInChI=1S/C19H24N4O4/c1-13-21-19(27-22-13)16-8-3-4-11-23(16)17(24)9-10-20-18(25)14-6-5-7-15(12-14)26-2/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,20,25)
InChIKeyFLWXDGASEJPEOS-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.26
Rot. Bonds6

About 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide

3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 135111285) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID135111285
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)N2CCCCC2c2nc(C)no2)c1
InChIInChI=1S/C19H24N4O4/c1-13-21-19(27-22-13)16-8-3-4-11-23(16)17(24)9-10-20-18(25)14-6-5-7-15(12-14)26-2/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,20,25)
InChIKeyFLWXDGASEJPEOS-UHFFFAOYSA-N
XLogP2.26
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
CID 99993065
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90564019
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzamide
CID 43016179
(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 97454949
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 72924183
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 42761005
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 5041524
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70727121

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide (CID 135111285) is 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide is COc1cccc(C(=O)NCCC(=O)N2CCCCC2c2nc(C)no2)c1.
What is the InChIKey of 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is FLWXDGASEJPEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-21-19(27-22-13)16-8-3-4-11-23(16)17(24)9-10-20-18(25)14-6-5-7-15(12-14)26-2/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,20,25).
What are the key properties of 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 135111285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).