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

C18H20N2OS — CID 2472264

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(17-13-14-5-4-8-16(14)22-17)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-3,6-7,13H,4-5,8-12H2
InChIKeyHORPGCYDIQJZNG-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.20
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2472264) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID2472264
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(17-13-14-5-4-8-16(14)22-17)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-3,6-7,13H,4-5,8-12H2
InChIKeyHORPGCYDIQJZNG-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiofuranylfentanyl
CID 137700027
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone (CID 2472264) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HORPGCYDIQJZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(17-13-14-5-4-8-16(14)22-17)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-3,6-7,13H,4-5,8-12H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 312.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 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-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2472264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).