N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide

C16H22N2OS2 — CID 106629058

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cc2sccc2s1
InChIInChI=1S/C16H22N2OS2/c1-11(2)18(10-12-4-3-6-17-9-12)16(19)15-8-14-13(21-15)5-7-20-14/h5,7-8,11-12,17H,3-4,6,9-10H2,1-2H3
InChIKeyNTTTYRSAXIPGGB-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.81
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide

N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 106629058) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID106629058
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cc2sccc2s1
InChIInChI=1S/C16H22N2OS2/c1-11(2)18(10-12-4-3-6-17-9-12)16(19)15-8-14-13(21-15)5-7-20-14/h5,7-8,11-12,17H,3-4,6,9-10H2,1-2H3
InChIKeyNTTTYRSAXIPGGB-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-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

N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106626552
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 119932473
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745714
N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 106629024
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 106628888
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide (CID 106629058) is N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide is CC(C)N(CC1CCCNC1)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is NTTTYRSAXIPGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-11(2)18(10-12-4-3-6-17-9-12)16(19)15-8-14-13(21-15)5-7-20-14/h5,7-8,11-12,17H,3-4,6,9-10H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 106629058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).