1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

C16H22N2O2S — CID 53158883

IUPAC1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2sc(C(=O)N3CCCCC3)cc2C1
InChIInChI=1S/C16H22N2O2S/c1-2-15(19)18-9-6-13-12(11-18)10-14(21-13)16(20)17-7-4-3-5-8-17/h10H,2-9,11H2,1H3
InChIKeyGHOHEWBNWASVTH-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.67
Rot. Bonds2

About 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (PubChem CID 53158883) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
PubChem CID53158883
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2sc(C(=O)N3CCCCC3)cc2C1
InChIInChI=1S/C16H22N2O2S/c1-2-15(19)18-9-6-13-12(11-18)10-14(21-13)16(20)17-7-4-3-5-8-17/h10H,2-9,11H2,1H3
InChIKeyGHOHEWBNWASVTH-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (CID 53158883) is 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2sc(C(=O)N3CCCCC3)cc2C1.
What is the InChIKey of 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The InChIKey is GHOHEWBNWASVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-15(19)18-9-6-13-12(11-18)10-14(21-13)16(20)17-7-4-3-5-8-17/h10H,2-9,11H2,1H3.
What are the key properties of 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one has a molecular weight of 306.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 53158883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).