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

C22H22FN3O2S2 — CID 46390060

IUPAC1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O2S2/c23-17-4-1-3-16(13-17)22(28)26-10-7-15(8-11-26)20(27)24-9-6-18-14-30-21(25-18)19-5-2-12-29-19/h1-5,12-15H,6-11H2,(H,24,27)
InChIKeyPWCOZWGYRWNJNQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.22
Rot. Bonds6

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

1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390060) has the molecular formula C22H22FN3O2S2 and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390060
Molecular FormulaC22H22FN3O2S2
Molecular Weight443.57 g/mol
Exact Mass443.11
IUPAC Name1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O2S2/c23-17-4-1-3-16(13-17)22(28)26-10-7-15(8-11-26)20(27)24-9-6-18-14-30-21(25-18)19-5-2-12-29-19/h1-5,12-15H,6-11H2,(H,24,27)
InChIKeyPWCOZWGYRWNJNQ-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974853
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973356
1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390059
1-[2-(4-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973346
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973347
N-[2-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841895
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 87013934
N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801850

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390060) is 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is PWCOZWGYRWNJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S2/c23-17-4-1-3-16(13-17)22(28)26-10-7-15(8-11-26)20(27)24-9-6-18-14-30-21(25-18)19-5-2-12-29-19/h1-5,12-15H,6-11H2,(H,24,27).
What are the key properties of 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).