1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C24H23ClFN3O2S — CID 20974849

IUPAC1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C24H23ClFN3O2S/c25-20-14-18(6-7-21(20)26)24(31)29-12-9-16(10-13-29)22(30)27-11-8-19-15-32-23(28-19)17-4-2-1-3-5-17/h1-7,14-16H,8-13H2,(H,27,30)
InChIKeyOSUDYNFRAJXVBJ-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.81
Rot. Bonds6

About 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 20974849) has the molecular formula C24H23ClFN3O2S and a molecular weight of 471.99 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID20974849
Molecular FormulaC24H23ClFN3O2S
Molecular Weight471.99 g/mol
Exact Mass471.12
IUPAC Name1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C24H23ClFN3O2S/c25-20-14-18(6-7-21(20)26)24(31)29-12-9-16(10-13-29)22(30)27-11-8-19-15-32-23(28-19)17-4-2-1-3-5-17/h1-7,14-16H,8-13H2,(H,27,30)
InChIKeyOSUDYNFRAJXVBJ-UHFFFAOYSA-N
XLogP4.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 20974849) is 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OSUDYNFRAJXVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2S/c25-20-14-18(6-7-21(20)26)24(31)29-12-9-16(10-13-29)22(30)27-11-8-19-15-32-23(28-19)17-4-2-1-3-5-17/h1-7,14-16H,8-13H2,(H,27,30).
What are the key properties of 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).