5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C18H16BrN3O3 — CID 154873486

IUPAC5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1ccc2ccc(Br)cc2c1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C18H16BrN3O3/c19-15-4-3-11-1-2-13(9-14(11)10-15)17(23)22-7-5-12(6-8-22)16-20-21-18(24)25-16/h1-4,9-10,12H,5-8H2,(H,21,24)
InChIKeyZHVZJTRAPLBRKO-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.30
Rot. Bonds2

About 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 154873486) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID154873486
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1ccc2ccc(Br)cc2c1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C18H16BrN3O3/c19-15-4-3-11-1-2-13(9-14(11)10-15)17(23)22-7-5-12(6-8-22)16-20-21-18(24)25-16/h1-4,9-10,12H,5-8H2,(H,21,24)
InChIKeyZHVZJTRAPLBRKO-UHFFFAOYSA-N
XLogP3.30
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 122153512
5-[1-(4-bromo-5-methylthiophene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 136548886
5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866683
5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154834014
5-[1-(4-methyl-2,3-dihydro-1,4-benzoxazine-8-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 166262980
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998
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-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154848200
(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115969934

Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 154873486) is 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C(c1ccc2ccc(Br)cc2c1)N1CCC(c2n[nH]c(=O)o2)CC1.
What is the InChIKey of 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ZHVZJTRAPLBRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c19-15-4-3-11-1-2-13(9-14(11)10-15)17(23)22-7-5-12(6-8-22)16-20-21-18(24)25-16/h1-4,9-10,12H,5-8H2,(H,21,24).
What are the key properties of 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 402.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154873486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).