N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide

C23H30FN3O3S — CID 53103695

IUPACN-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
SMILESCCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C23H30FN3O3S/c1-3-30-14-4-11-25-20(28)15-17-9-12-27(13-10-17)23(29)21-16(2)26-22(31-21)18-5-7-19(24)8-6-18/h5-8,17H,3-4,9-15H2,1-2H3,(H,25,28)
InChIKeyYNFDXJPVHRUOFX-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.04
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide

N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide (PubChem CID 53103695) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
PubChem CID53103695
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC NameN-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
SMILESCCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C23H30FN3O3S/c1-3-30-14-4-11-25-20(28)15-17-9-12-27(13-10-17)23(29)21-16(2)26-22(31-21)18-5-7-19(24)8-6-18/h5-8,17H,3-4,9-15H2,1-2H3,(H,25,28)
InChIKeyYNFDXJPVHRUOFX-UHFFFAOYSA-N
XLogP4.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide (CID 53103695) is N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide is CCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is YNFDXJPVHRUOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-3-30-14-4-11-25-20(28)15-17-9-12-27(13-10-17)23(29)21-16(2)26-22(31-21)18-5-7-19(24)8-6-18/h5-8,17H,3-4,9-15H2,1-2H3,(H,25,28).
What are the key properties of N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53103695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).