1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide

C18H21FN4O2S — CID 163368458

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H21FN4O2S/c1-12(24)21-18-20-9-16(26-18)11-23-8-2-3-13(10-23)17(25)22-15-6-4-14(19)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyXORLZQSCDLRCNG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.09
Rot. Bonds5

About 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 163368458) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
PubChem CID163368458
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H21FN4O2S/c1-12(24)21-18-20-9-16(26-18)11-23-8-2-3-13(10-23)17(25)22-15-6-4-14(19)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyXORLZQSCDLRCNG-UHFFFAOYSA-N
XLogP3.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide (CID 163368458) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide is CC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is XORLZQSCDLRCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-12(24)21-18-20-9-16(26-18)11-23-8-2-3-13(10-23)17(25)22-15-6-4-14(19)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,22,25)(H,20,21,24).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 163368458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).