[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone

C17H18ClN3O2 — CID 3294167

IUPAC[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCC(c2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C17H18ClN3O2/c18-14-7-5-11(6-8-14)15-19-16(23-20-15)13-2-1-9-21(10-13)17(22)12-3-4-12/h5-8,12-13H,1-4,9-10H2
InChIKeyDMSVLEHWTAAHMO-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.51
Rot. Bonds3

About [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone

[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 3294167) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID3294167
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCC(c2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C17H18ClN3O2/c18-14-7-5-11(6-8-14)15-19-16(23-20-15)13-2-1-9-21(10-13)17(22)12-3-4-12/h5-8,12-13H,1-4,9-10H2
InChIKeyDMSVLEHWTAAHMO-UHFFFAOYSA-N
XLogP3.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone (CID 3294167) is [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCCC(c2nc(-c3ccc(Cl)cc3)no2)C1.
What is the InChIKey of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is DMSVLEHWTAAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-7-5-11(6-8-14)15-19-16(23-20-15)13-2-1-9-21(10-13)17(22)12-3-4-12/h5-8,12-13H,1-4,9-10H2.
What are the key properties of [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone?
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 331.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 3294167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).