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

C14H20N2OS — CID 65461333

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20N2OS/c1-14(2)9-15-6-7-16(14)13(17)12-8-10-4-3-5-11(10)18-12/h8,15H,3-7,9H2,1-2H3
InChIKeyFGGQPCKJLKBFKT-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.06
Rot. Bonds1

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 65461333) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID65461333
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20N2OS/c1-14(2)9-15-6-7-16(14)13(17)12-8-10-4-3-5-11(10)18-12/h8,15H,3-7,9H2,1-2H3
InChIKeyFGGQPCKJLKBFKT-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705631
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706890
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
1,4-diazepan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119418449
1,4-diazepan-1-yl(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119415407
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103745626
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 66211793
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80703397
(4-hydroxy-4-methylpiperidin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 80707284
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63265752
3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
CID 65462532

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone (CID 65461333) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is FGGQPCKJLKBFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2)9-15-6-7-16(14)13(17)12-8-10-4-3-5-11(10)18-12/h8,15H,3-7,9H2,1-2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 65461333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).