3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C15H22N2O2S — CID 91956489

IUPAC3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCN(C)CC2)sc2c1CCC2
InChIInChI=1S/C15H22N2O2S/c1-17-8-6-10(7-9-17)16-15(18)14-13(19-2)11-4-3-5-12(11)20-14/h10H,3-9H2,1-2H3,(H,16,18)
InChIKeyRJEPVFLMZADUFT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.07
Rot. Bonds3

About 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 91956489) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID91956489
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCN(C)CC2)sc2c1CCC2
InChIInChI=1S/C15H22N2O2S/c1-17-8-6-10(7-9-17)16-15(18)14-13(19-2)11-4-3-5-12(11)20-14/h10H,3-9H2,1-2H3,(H,16,18)
InChIKeyRJEPVFLMZADUFT-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 100815248
3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956435
N-[3-(dimethylamino)propyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956538
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91956582
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956498
(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91956479
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956409

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 91956489) is 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is COc1c(C(=O)NC2CCN(C)CC2)sc2c1CCC2.
What is the InChIKey of 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is RJEPVFLMZADUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17-8-6-10(7-9-17)16-15(18)14-13(19-2)11-4-3-5-12(11)20-14/h10H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 91956489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).