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

C23H22ClN3O2 — CID 42760540

IUPAC[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H22ClN3O2/c24-17-11-9-16(10-12-17)21-25-22(29-26-21)20-8-4-5-13-27(20)23(28)19-14-18(19)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-20H,4-5,8,13-14H2
InChIKeyQDKVDQULMPXMGS-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.25
Rot. Bonds4

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

[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 42760540) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID42760540
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H22ClN3O2/c24-17-11-9-16(10-12-17)21-25-22(29-26-21)20-8-4-5-13-27(20)23(28)19-14-18(19)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-20H,4-5,8,13-14H2
InChIKeyQDKVDQULMPXMGS-UHFFFAOYSA-N
XLogP5.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4528792
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 98361078
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 98361075
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 4537441
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 42765290
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 3369474

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 42760540) is [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone is O=C(C1CC1c1ccccc1)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is QDKVDQULMPXMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-17-11-9-16(10-12-17)21-25-22(29-26-21)20-8-4-5-13-27(20)23(28)19-14-18(19)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-20H,4-5,8,13-14H2.
What are the key properties of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 407.90 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 42760540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).