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

C16H22N2OS2 — CID 106626552

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1cc2sccc2s1
InChIInChI=1S/C16H22N2OS2/c1-11(2)18(10-12-5-3-4-7-17-12)16(19)15-9-14-13(21-15)6-8-20-14/h6,8-9,11-12,17H,3-5,7,10H2,1-2H3
InChIKeyJONGLGAVHFVKPB-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.96
Rot. Bonds4

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

N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 106626552) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID106626552
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1cc2sccc2s1
InChIInChI=1S/C16H22N2OS2/c1-11(2)18(10-12-5-3-4-7-17-12)16(19)15-9-14-13(21-15)6-8-20-14/h6,8-9,11-12,17H,3-5,7,10H2,1-2H3
InChIKeyJONGLGAVHFVKPB-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032
5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 106626706
N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-thiophen-3-ylacetamide
CID 106626703
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide (CID 106626552) is N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide is CC(C)N(CC1CCCCN1)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is JONGLGAVHFVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-11(2)18(10-12-5-3-4-7-17-12)16(19)15-9-14-13(21-15)6-8-20-14/h6,8-9,11-12,17H,3-5,7,10H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide?
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 106626552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).