5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

C27H29N3O3S — CID 42485211

IUPAC5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CCN(Cc4ccsc4)CC3)ccc2o1
InChIInChI=1S/C27H29N3O3S/c1-29(12-7-23-4-2-3-11-28-23)26(31)25-17-21-16-22(5-6-24(21)33-25)27(32)9-13-30(14-10-27)18-20-8-15-34-19-20/h2-6,8,11,15-17,19,32H,7,9-10,12-14,18H2,1H3
InChIKeyQVSLQOFXMYXGNQ-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.69
Rot. Bonds7

About 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 42485211) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID42485211
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CCN(Cc4ccsc4)CC3)ccc2o1
InChIInChI=1S/C27H29N3O3S/c1-29(12-7-23-4-2-3-11-28-23)26(31)25-17-21-16-22(5-6-24(21)33-25)27(32)9-13-30(14-10-27)18-20-8-15-34-19-20/h2-6,8,11,15-17,19,32H,7,9-10,12-14,18H2,1H3
InChIKeyQVSLQOFXMYXGNQ-UHFFFAOYSA-N
XLogP4.69
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide 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

5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 26352465
5-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 42473090
5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 26338813
5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide
CID 26347474
5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 42371656
5-[4-hydroxy-1-[(2R)-2-methylbutyl]piperidin-4-yl]-N-methyl-N-(quinolin-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 26339566
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26350873
N-[2-(2-fluorophenyl)ethyl]-5-[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-carboxamide
CID 42318748
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896
N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 26334405

Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (CID 42485211) is 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CCN(Cc4ccsc4)CC3)ccc2o1.
What is the InChIKey of 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is QVSLQOFXMYXGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-29(12-7-23-4-2-3-11-28-23)26(31)25-17-21-16-22(5-6-24(21)33-25)27(32)9-13-30(14-10-27)18-20-8-15-34-19-20/h2-6,8,11,15-17,19,32H,7,9-10,12-14,18H2,1H3.
What are the key properties of 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42485211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).