1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone

C15H21ClN2O2S — CID 81234116

IUPAC1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC2CCc3sc(Cl)cc32)CC1
InChIInChI=1S/C15H21ClN2O2S/c1-20-9-15(19)18-6-4-10(5-7-18)17-12-2-3-13-11(12)8-14(16)21-13/h8,10,12,17H,2-7,9H2,1H3
InChIKeyWGNUATSAIJPSHL-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone

1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 81234116) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone
PubChem CID81234116
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC2CCc3sc(Cl)cc32)CC1
InChIInChI=1S/C15H21ClN2O2S/c1-20-9-15(19)18-6-4-10(5-7-18)17-12-2-3-13-11(12)8-14(16)21-13/h8,10,12,17H,2-7,9H2,1H3
InChIKeyWGNUATSAIJPSHL-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone (CID 81234116) is 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NC2CCc3sc(Cl)cc32)CC1.
What is the InChIKey of 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is WGNUATSAIJPSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-20-9-15(19)18-6-4-10(5-7-18)17-12-2-3-13-11(12)8-14(16)21-13/h8,10,12,17H,2-7,9H2,1H3.
What are the key properties of 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 328.87 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 81234116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).