2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C25H35N3O5S — CID 3847562

IUPAC2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CCC(c2nc(C(=O)N(C)CCc3ccccc3)cs2)CC1
InChIInChI=1S/C25H35N3O5S/c1-27(11-8-20-6-4-3-5-7-20)25(30)22-19-34-24(26-22)21-9-12-28(13-10-21)23(29)18-33-17-16-32-15-14-31-2/h3-7,19,21H,8-18H2,1-2H3
InChIKeyZVXKMBUDARPVAB-UHFFFAOYSA-N
MW489.64 g/mol
LogP2.84
Rot. Bonds13

About 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3847562) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID3847562
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CCC(c2nc(C(=O)N(C)CCc3ccccc3)cs2)CC1
InChIInChI=1S/C25H35N3O5S/c1-27(11-8-20-6-4-3-5-7-20)25(30)22-19-34-24(26-22)21-9-12-28(13-10-21)23(29)18-33-17-16-32-15-14-31-2/h3-7,19,21H,8-18H2,1-2H3
InChIKeyZVXKMBUDARPVAB-UHFFFAOYSA-N
XLogP2.84
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-[2-(4-nitrophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3413948
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3678848
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 3685355
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3788057
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 3827852
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 5014907
ethyl 4-[[2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
CID 5244556
2-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
CID 126833573
2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N'-methyl-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 3684625
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 3866975
2-methoxyethyl 4-[4-[(2-tert-butylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59210330
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 3847562) is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is COCCOCCOCC(=O)N1CCC(c2nc(C(=O)N(C)CCc3ccccc3)cs2)CC1.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZVXKMBUDARPVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-27(11-8-20-6-4-3-5-7-20)25(30)22-19-34-24(26-22)21-9-12-28(13-10-21)23(29)18-33-17-16-32-15-14-31-2/h3-7,19,21H,8-18H2,1-2H3.
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 2.84, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3847562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).