methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate

C24H24N2O4S — CID 163453538

IUPACmethyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC1CCN(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H24N2O4S/c1-29-24(28)22-20(16-21(31-22)17-8-4-2-5-9-17)25-19-12-14-26(15-13-19)30-23(27)18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3
InChIKeyBINHCXDKZSXJJT-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.85
Rot. Bonds6

About methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate

methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate (PubChem CID 163453538) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate
PubChem CID163453538
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Namemethyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC1CCN(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H24N2O4S/c1-29-24(28)22-20(16-21(31-22)17-8-4-2-5-9-17)25-19-12-14-26(15-13-19)30-23(27)18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3
InChIKeyBINHCXDKZSXJJT-UHFFFAOYSA-N
XLogP4.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate 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

3-[(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 142679209
3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid
CID 22496289
methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
CID 59752386
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351
methyl 3-[(4-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565786
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015
methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
methyl 3-amino-5-phenylthiophene-2-carboxylate;3-[(4-methylcyclohexanecarbonyl)-piperidin-1-ium-4-ylamino]-5-phenylthiophene-2-carboxylic acid;methyl 3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate;methyl 3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]-5-phenylthiophene-2-carboxylate;methyl 3-[(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate;chloride
CID 160556316
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 16833627
(Z)-1,1,1-trifluoro-4-[(2-methoxycarbonyl-5-phenylthiophen-3-yl)amino]-4-oxobut-2-en-2-olate
CID 134095767

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate (CID 163453538) is methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC1CCN(OC(=O)c2ccccc2)CC1.
What is the InChIKey of methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is BINHCXDKZSXJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-24(28)22-20(16-21(31-22)17-8-4-2-5-9-17)25-19-12-14-26(15-13-19)30-23(27)18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3.
What are the key properties of methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate?
methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 436.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 163453538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).