[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone

C21H18Cl2N2O2S — CID 166338912

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)s2)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H18Cl2N2O2S/c22-15-2-4-16(5-3-15)27-17-9-11-25(12-10-17)21(26)18-6-1-14(13-24-18)19-7-8-20(23)28-19/h1-8,13,17H,9-12H2
InChIKeyXUOQVKFHAHYAMC-UHFFFAOYSA-N
MW433.36 g/mol
LogP5.80
Rot. Bonds4

About [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone (PubChem CID 166338912) has the molecular formula C21H18Cl2N2O2S and a molecular weight of 433.36 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
PubChem CID166338912
Molecular FormulaC21H18Cl2N2O2S
Molecular Weight433.36 g/mol
Exact Mass432.05
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)s2)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H18Cl2N2O2S/c22-15-2-4-16(5-3-15)27-17-9-11-25(12-10-17)21(26)18-6-1-14(13-24-18)19-7-8-20(23)28-19/h1-8,13,17H,9-12H2
InChIKeyXUOQVKFHAHYAMC-UHFFFAOYSA-N
XLogP5.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone with MolForge

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Related Compounds

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(difluoromethyl)-1,3-thiazol-5-yl]methanone
CID 166294062
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 123261911
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone (CID 166338912) is [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone is O=C(c1ccc(-c2ccc(Cl)s2)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone?
The InChIKey is XUOQVKFHAHYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2S/c22-15-2-4-16(5-3-15)27-17-9-11-25(12-10-17)21(26)18-6-1-14(13-24-18)19-7-8-20(23)28-19/h1-8,13,17H,9-12H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone has a molecular weight of 433.36 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 166338912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).