3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one

C23H22ClN3O3 — CID 23612567

IUPAC3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyCREWBZNTQFJRTK-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.05
Rot. Bonds4

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

3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 23612567) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID23612567
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyCREWBZNTQFJRTK-UHFFFAOYSA-N
XLogP4.05
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 23612551
2-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268624
[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 66662142
[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone
CID 26341021
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
CID 16674629
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
3-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156930
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[1-(4-chlorophenyl)cyclopropyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679970
4-methyl-2-[1-(4-phenyloxane-4-carbonyl)piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122161723

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 23612567) is 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one is O=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is CREWBZNTQFJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2.
What are the key properties of 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 423.90 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23612567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).