5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C15H21N3O4 — CID 154848200

IUPAC5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C1CCCC(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)CC1
InChIInChI=1S/C15H21N3O4/c19-12-3-1-2-11(4-5-12)14(20)18-8-6-10(7-9-18)13-16-17-15(21)22-13/h10-11H,1-9H2,(H,17,21)
InChIKeyYQZNKMNRYQCNMT-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.22
Rot. Bonds2

About 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 154848200) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID154848200
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C1CCCC(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)CC1
InChIInChI=1S/C15H21N3O4/c19-12-3-1-2-11(4-5-12)14(20)18-8-6-10(7-9-18)13-16-17-15(21)22-13/h10-11H,1-9H2,(H,17,21)
InChIKeyYQZNKMNRYQCNMT-UHFFFAOYSA-N
XLogP1.22
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154834014
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866683
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998
5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866343
5-[1-(4-bromo-5-methylthiophene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 136548886
5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167865932
5-[1-[(1R,5S)-6,6-difluoro-3-oxabicyclo[3.1.0]hexane-1-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154870862
5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 126831695
5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154873486
5-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 122153512
5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 136545040

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 154848200) is 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C1CCCC(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)CC1.
What is the InChIKey of 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is YQZNKMNRYQCNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-12-3-1-2-11(4-5-12)14(20)18-8-6-10(7-9-18)13-16-17-15(21)22-13/h10-11H,1-9H2,(H,17,21).
What are the key properties of 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 307.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154848200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).