5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one

C20H26N4O2 — CID 167979132

IUPAC5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one
SMILESO=C1CCC(CN2CCC(c3nc(-c4ccccc4)no3)CC2)CCN1
InChIInChI=1S/C20H26N4O2/c25-18-7-6-15(8-11-21-18)14-24-12-9-17(10-13-24)20-22-19(23-26-20)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,21,25)
InChIKeyGLLFPUSLPVWDQE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.83
Rot. Bonds4

About 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one

5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one (PubChem CID 167979132) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one
PubChem CID167979132
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one
SMILESO=C1CCC(CN2CCC(c3nc(-c4ccccc4)no3)CC2)CCN1
InChIInChI=1S/C20H26N4O2/c25-18-7-6-15(8-11-21-18)14-24-12-9-17(10-13-24)20-22-19(23-26-20)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,21,25)
InChIKeyGLLFPUSLPVWDQE-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclohexanecarbonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200400
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
4-[[4-oxo-8-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundec-1-yl]methyl]benzonitrile
CID 110200526
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 166269555
3-[[4-oxo-8-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundec-1-yl]methyl]benzonitrile
CID 110200529
4-[[4-[3-(3-amino-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 137439534
3-(4-fluorophenyl)-5-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 119931231
5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200546
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 127318357
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one?
The IUPAC name of 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one (CID 167979132) is 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one.
What is the SMILES notation for 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one?
The canonical SMILES for 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one is O=C1CCC(CN2CCC(c3nc(-c4ccccc4)no3)CC2)CCN1.
What is the InChIKey of 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one?
The InChIKey is GLLFPUSLPVWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-18-7-6-15(8-11-21-18)14-24-12-9-17(10-13-24)20-22-19(23-26-20)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,21,25).
What are the key properties of 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one?
5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one is sourced from PubChem (CID 167979132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).