1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C22H22FN3O2S2 — CID 20973356

IUPAC1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O2S2/c23-17-4-1-3-15(11-17)12-20(27)26-8-6-16(7-9-26)21(28)24-13-18-14-30-22(25-18)19-5-2-10-29-19/h1-5,10-11,14,16H,6-9,12-13H2,(H,24,28)
InChIKeyWHICCBYTTIEODV-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.11
Rot. Bonds6

About 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 20973356) has the molecular formula C22H22FN3O2S2 and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID20973356
Molecular FormulaC22H22FN3O2S2
Molecular Weight443.57 g/mol
Exact Mass443.11
IUPAC Name1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O2S2/c23-17-4-1-3-15(11-17)12-20(27)26-8-6-16(7-9-26)21(28)24-13-18-14-30-22(25-18)19-5-2-10-29-19/h1-5,10-11,14,16H,6-9,12-13H2,(H,24,28)
InChIKeyWHICCBYTTIEODV-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 20973356) is 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WHICCBYTTIEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S2/c23-17-4-1-3-15(11-17)12-20(27)26-8-6-16(7-9-26)21(28)24-13-18-14-30-22(25-18)19-5-2-10-29-19/h1-5,10-11,14,16H,6-9,12-13H2,(H,24,28).
What are the key properties of 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).