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

C19H22ClN3O2 — CID 4538482

IUPAC[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-7-3-6-15(12-16)17-21-18(25-22-17)13-8-10-23(11-9-13)19(24)14-4-1-2-5-14/h3,6-7,12-14H,1-2,4-5,8-11H2
InChIKeyVJRUVOBHECAHKC-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.29
Rot. Bonds3

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

[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 4538482) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID4538482
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-7-3-6-15(12-16)17-21-18(25-22-17)13-8-10-23(11-9-13)19(24)14-4-1-2-5-14/h3,6-7,12-14H,1-2,4-5,8-11H2
InChIKeyVJRUVOBHECAHKC-UHFFFAOYSA-N
XLogP4.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 812500
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 4538481
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 71456522
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]octan-1-one
CID 3589573
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
CID 71451194

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone (CID 4538482) is [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is VJRUVOBHECAHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-7-3-6-15(12-16)17-21-18(25-22-17)13-8-10-23(11-9-13)19(24)14-4-1-2-5-14/h3,6-7,12-14H,1-2,4-5,8-11H2.
What are the key properties of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone?
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 359.86 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 4538482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).