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

C15H15Cl2N3O3 — CID 132971968

IUPAC5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C15H15Cl2N3O3/c16-11-4-3-9(12(17)7-11)6-13(21)20-5-1-2-10(8-20)14-18-19-15(22)23-14/h3-4,7,10H,1-2,5-6,8H2,(H,19,22)
InChIKeyBLPLNFSUMAOCID-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.62
Rot. Bonds3

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

5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 132971968) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID132971968
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C15H15Cl2N3O3/c16-11-4-3-9(12(17)7-11)6-13(21)20-5-1-2-10(8-20)14-18-19-15(22)23-14/h3-4,7,10H,1-2,5-6,8H2,(H,19,22)
InChIKeyBLPLNFSUMAOCID-UHFFFAOYSA-N
XLogP2.62
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403173
5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 126831695
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 136545040
5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166268595
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
2-(3-chloro-4-fluorophenoxy)-1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125026628
5-[1-[4-(3,4-dimethylphenyl)oxane-4-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 138058226
5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166244495
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110903824

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 132971968) is 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=C(Cc1ccc(Cl)cc1Cl)N1CCCC(c2n[nH]c(=O)o2)C1.
What is the InChIKey of 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is BLPLNFSUMAOCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c16-11-4-3-9(12(17)7-11)6-13(21)20-5-1-2-10(8-20)14-18-19-15(22)23-14/h3-4,7,10H,1-2,5-6,8H2,(H,19,22).
What are the key properties of 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 356.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 132971968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).