5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C16H25N3O2S — CID 70735627

IUPAC5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(CC1(O)CCCNC1)C2
InChIInChI=1S/C16H25N3O2S/c1-18(2)15(20)14-8-12-9-19(7-4-13(12)22-14)11-16(21)5-3-6-17-10-16/h8,17,21H,3-7,9-11H2,1-2H3
InChIKeyDDDBCKQXBPMTHO-UHFFFAOYSA-N
MW323.46 g/mol
LogP0.92
Rot. Bonds3

About 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 70735627) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID70735627
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(CC1(O)CCCNC1)C2
InChIInChI=1S/C16H25N3O2S/c1-18(2)15(20)14-8-12-9-19(7-4-13(12)22-14)11-16(21)5-3-6-17-10-16/h8,17,21H,3-7,9-11H2,1-2H3
InChIKeyDDDBCKQXBPMTHO-UHFFFAOYSA-N
XLogP0.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 70735627) is 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CN(C)C(=O)c1cc2c(s1)CCN(CC1(O)CCCNC1)C2.
What is the InChIKey of 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DDDBCKQXBPMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-18(2)15(20)14-8-12-9-19(7-4-13(12)22-14)11-16(21)5-3-6-17-10-16/h8,17,21H,3-7,9-11H2,1-2H3.
What are the key properties of 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 70735627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).