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

C23H30FN3O3S — CID 53103726

IUPAC2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C23H30FN3O3S/c1-15(21(28)25-11-4-14-30-3)17-9-12-27(13-10-17)23(29)20-16(2)26-22(31-20)18-5-7-19(24)8-6-18/h5-8,15,17H,4,9-14H2,1-3H3,(H,25,28)
InChIKeyMEEDWNOEWUDVOT-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.90
Rot. Bonds8

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

2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 53103726) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide
PubChem CID53103726
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C23H30FN3O3S/c1-15(21(28)25-11-4-14-30-3)17-9-12-27(13-10-17)23(29)20-16(2)26-22(31-20)18-5-7-19(24)8-6-18/h5-8,15,17H,4,9-14H2,1-3H3,(H,25,28)
InChIKeyMEEDWNOEWUDVOT-UHFFFAOYSA-N
XLogP3.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.90
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 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide (CID 53103726) is 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is MEEDWNOEWUDVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-15(21(28)25-11-4-14-30-3)17-9-12-27(13-10-17)23(29)20-16(2)26-22(31-20)18-5-7-19(24)8-6-18/h5-8,15,17H,4,9-14H2,1-3H3,(H,25,28).
What are the key properties of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide?
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 447.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 53103726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).