5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone

C15H21NOS — CID 4963136

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc3c(s2)CCC3)C1
InChIInChI=1S/C15H21NOS/c1-10-6-11(2)9-16(8-10)15(17)14-7-12-4-3-5-13(12)18-14/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyHWFUTXDMMKGVFB-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.35
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 4963136) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID4963136
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc3c(s2)CCC3)C1
InChIInChI=1S/C15H21NOS/c1-10-6-11(2)9-16(8-10)15(17)14-7-12-4-3-5-13(12)18-14/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyHWFUTXDMMKGVFB-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2998722
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9268465
4-Prop-2-enylpiperazinyl 4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl ketone
CID 6469292
(5-Methylthiophen-2-yl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone
CID 24686496
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
[4-(4-Ethyl-5-methyl-thiophene-2-carbonyl)piperazin-1-yl]-phenyl-methanone
CID 7809250
1-(Phenylacetyl)-4-(2-thienylcarbonyl)piperazine
CID 650106

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone (CID 4963136) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc3c(s2)CCC3)C1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is HWFUTXDMMKGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10-6-11(2)9-16(8-10)15(17)14-7-12-4-3-5-13(12)18-14/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 263.41 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 4963136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).