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

C16H23ClN2OS — CID 81235603

IUPAC1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NC2CCc3sc(Cl)cc32)CC1
InChIInChI=1S/C16H23ClN2OS/c1-10(2)16(20)19-7-5-11(6-8-19)18-13-3-4-14-12(13)9-15(17)21-14/h9-11,13,18H,3-8H2,1-2H3
InChIKeyIHWUFXQOADEBOO-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.63
Rot. Bonds3

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

1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 81235603) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID81235603
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NC2CCc3sc(Cl)cc32)CC1
InChIInChI=1S/C16H23ClN2OS/c1-10(2)16(20)19-7-5-11(6-8-19)18-13-3-4-14-12(13)9-15(17)21-14/h9-11,13,18H,3-8H2,1-2H3
InChIKeyIHWUFXQOADEBOO-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methylpropan-1-one?
The IUPAC name of 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one (CID 81235603) is 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=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-methylpropan-1-one?
The InChIKey is IHWUFXQOADEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-10(2)16(20)19-7-5-11(6-8-19)18-13-3-4-14-12(13)9-15(17)21-14/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of 1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 326.89 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylpropan-1-one is sourced from PubChem (CID 81235603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).