1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one

C16H24N2OS — CID 62841964

IUPAC1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one
SMILESCC(NC1CCCc2sccc21)C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-12(16(19)18-9-3-2-4-10-18)17-14-6-5-7-15-13(14)8-11-20-15/h8,11-12,14,17H,2-7,9-10H2,1H3
InChIKeyUMFHUIXJVWNZMH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.12
Rot. Bonds3

About 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one

1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one (PubChem CID 62841964) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one
PubChem CID62841964
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one
SMILESCC(NC1CCCc2sccc21)C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-12(16(19)18-9-3-2-4-10-18)17-14-6-5-7-15-13(14)8-11-20-15/h8,11-12,14,17H,2-7,9-10H2,1H3
InChIKeyUMFHUIXJVWNZMH-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one (CID 62841964) is 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one is CC(NC1CCCc2sccc21)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one?
The InChIKey is UMFHUIXJVWNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(16(19)18-9-3-2-4-10-18)17-14-6-5-7-15-13(14)8-11-20-15/h8,11-12,14,17H,2-7,9-10H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one?
1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one has a molecular weight of 292.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one is sourced from PubChem (CID 62841964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).