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

C24H24FN3O4S — CID 24816733

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1OC
InChIInChI=1S/C24H24FN3O4S/c1-31-20-8-5-17(13-21(20)32-2)19-14-33-24(26-19)27-22(29)15-9-11-28(12-10-15)23(30)16-3-6-18(25)7-4-16/h3-8,13-15H,9-12H2,1-2H3,(H,26,27,29)
InChIKeyDPRYLZUQLDHNBF-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.46
Rot. Bonds6

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

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 24816733) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID24816733
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1OC
InChIInChI=1S/C24H24FN3O4S/c1-31-20-8-5-17(13-21(20)32-2)19-14-33-24(26-19)27-22(29)15-9-11-28(12-10-15)23(30)16-3-6-18(25)7-4-16/h3-8,13-15H,9-12H2,1-2H3,(H,26,27,29)
InChIKeyDPRYLZUQLDHNBF-UHFFFAOYSA-N
XLogP4.46
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 24816733) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is COc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is DPRYLZUQLDHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-31-20-8-5-17(13-21(20)32-2)19-14-33-24(26-19)27-22(29)15-9-11-28(12-10-15)23(30)16-3-6-18(25)7-4-16/h3-8,13-15H,9-12H2,1-2H3,(H,26,27,29).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 24816733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).