2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C16H25N3OS — CID 120774905

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC1(C)CN(CC(=O)N2CCc3sccc3C2)CCC1N
InChIInChI=1S/C16H25N3OS/c1-16(2)11-18(6-4-14(16)17)10-15(20)19-7-3-13-12(9-19)5-8-21-13/h5,8,14H,3-4,6-7,9-11,17H2,1-2H3
InChIKeyOFQMZYBPPRLQQI-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.69
Rot. Bonds2

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 120774905) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID120774905
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC1(C)CN(CC(=O)N2CCc3sccc3C2)CCC1N
InChIInChI=1S/C16H25N3OS/c1-16(2)11-18(6-4-14(16)17)10-15(20)19-7-3-13-12(9-19)5-8-21-13/h5,8,14H,3-4,6-7,9-11,17H2,1-2H3
InChIKeyOFQMZYBPPRLQQI-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119922344
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 119926401
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 120776503
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921660
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18142476
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 41304106
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86915991
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 120774905) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CC1(C)CN(CC(=O)N2CCc3sccc3C2)CCC1N.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is OFQMZYBPPRLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-16(2)11-18(6-4-14(16)17)10-15(20)19-7-3-13-12(9-19)5-8-21-13/h5,8,14H,3-4,6-7,9-11,17H2,1-2H3.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 307.46 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 120774905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).