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

C17H17Cl2N3OS — CID 78891217

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3OS/c18-12-9-13(19)16(20-10-12)21-4-6-22(7-5-21)17(23)15-8-11-2-1-3-14(11)24-15/h8-10H,1-7H2
InChIKeyJLKDDJXJJJNTCI-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.90
Rot. Bonds2

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

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (PubChem CID 78891217) has the molecular formula C17H17Cl2N3OS and a molecular weight of 382.32 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
PubChem CID78891217
Molecular FormulaC17H17Cl2N3OS
Molecular Weight382.32 g/mol
Exact Mass381.05
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3OS/c18-12-9-13(19)16(20-10-12)21-4-6-22(7-5-21)17(23)15-8-11-2-1-3-14(11)24-15/h8-10H,1-7H2
InChIKeyJLKDDJXJJJNTCI-UHFFFAOYSA-N
XLogP3.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 39855862
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254705
2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86835587
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226250
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 9254299
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-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819262
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (CID 78891217) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is O=C(c1cc2c(s1)CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The InChIKey is JLKDDJXJJJNTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3OS/c18-12-9-13(19)16(20-10-12)21-4-6-22(7-5-21)17(23)15-8-11-2-1-3-14(11)24-15/h8-10H,1-7H2.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone has a molecular weight of 382.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is sourced from PubChem (CID 78891217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).