[4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

C23H24ClN3O4 — CID 166338908

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCOCCc1nnc(-c2cccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2)o1
InChIInChI=1S/C23H24ClN3O4/c1-29-14-11-21-25-26-22(31-21)16-3-2-4-17(15-16)23(28)27-12-9-20(10-13-27)30-19-7-5-18(24)6-8-19/h2-8,15,20H,9-14H2,1H3
InChIKeyUXMFZAJZERYLOY-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.26
Rot. Bonds7

About [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (PubChem CID 166338908) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
PubChem CID166338908
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCOCCc1nnc(-c2cccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2)o1
InChIInChI=1S/C23H24ClN3O4/c1-29-14-11-21-25-26-22(31-21)16-3-2-4-17(15-16)23(28)27-12-9-20(10-13-27)30-19-7-5-18(24)6-8-19/h2-8,15,20H,9-14H2,1H3
InChIKeyUXMFZAJZERYLOY-UHFFFAOYSA-N
XLogP4.26
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone 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

[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 67168433
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 67168457
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
CID 166338943
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (CID 166338908) is [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is COCCc1nnc(-c2cccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2)o1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The InChIKey is UXMFZAJZERYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-14-11-21-25-26-22(31-21)16-3-2-4-17(15-16)23(28)27-12-9-20(10-13-27)30-19-7-5-18(24)6-8-19/h2-8,15,20H,9-14H2,1H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone has a molecular weight of 441.92 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is sourced from PubChem (CID 166338908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).