N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide

C27H29N3O4S — CID 53103572

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCc4ccc5c(c4)OCO5)CC3)s2)cc1
InChIInChI=1S/C27H29N3O4S/c1-17-3-6-21(7-4-17)26-29-18(2)25(35-26)27(32)30-11-9-19(10-12-30)14-24(31)28-15-20-5-8-22-23(13-20)34-16-33-22/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,28,31)
InChIKeyVUAIHAYYTORYRF-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.71
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide (PubChem CID 53103572) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
PubChem CID53103572
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCc4ccc5c(c4)OCO5)CC3)s2)cc1
InChIInChI=1S/C27H29N3O4S/c1-17-3-6-21(7-4-17)26-29-18(2)25(35-26)27(32)30-11-9-19(10-12-30)14-24(31)28-15-20-5-8-22-23(13-20)34-16-33-22/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,28,31)
InChIKeyVUAIHAYYTORYRF-UHFFFAOYSA-N
XLogP4.71
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53103598
N-[(4-ethylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103705
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
CID 53035394
N-butyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53035385
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
ethyl 5-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 50787395
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53103700
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103374
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53103646
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141
N-(1,3-benzodioxol-5-yl)-5-[4-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330947

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide (CID 53103572) is N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCc4ccc5c(c4)OCO5)CC3)s2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is VUAIHAYYTORYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-17-3-6-21(7-4-17)26-29-18(2)25(35-26)27(32)30-11-9-19(10-12-30)14-24(31)28-15-20-5-8-22-23(13-20)34-16-33-22/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,28,31).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 491.61 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53103572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).