(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone

C16H22N2OS — CID 120815594

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)C2CSc3ccccc32)CCC1N
InChIInChI=1S/C16H22N2OS/c1-16(2)10-18(8-7-14(16)17)15(19)12-9-20-13-6-4-3-5-11(12)13/h3-6,12,14H,7-10,17H2,1-2H3
InChIKeyVZEDJLFGDHAFOT-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.46
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (PubChem CID 120815594) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
PubChem CID120815594
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESCC1(C)CN(C(=O)C2CSc3ccccc32)CCC1N
InChIInChI=1S/C16H22N2OS/c1-16(2)10-18(8-7-14(16)17)15(19)12-9-20-13-6-4-3-5-11(12)13/h3-6,12,14H,7-10,17H2,1-2H3
InChIKeyVZEDJLFGDHAFOT-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (CID 120815594) is (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is CC1(C)CN(C(=O)C2CSc3ccccc32)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The InChIKey is VZEDJLFGDHAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2)10-18(8-7-14(16)17)15(19)12-9-20-13-6-4-3-5-11(12)13/h3-6,12,14H,7-10,17H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone has a molecular weight of 290.43 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 120815594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).