1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide

C15H20N2O2S — CID 24979733

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H20N2O2S/c16-14(18)10-5-7-17(8-6-10)15(19)13-9-11-3-1-2-4-12(11)20-13/h9-10H,1-8H2,(H2,16,18)
InChIKeyNSVQGQOYPMJXTI-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.96
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide

1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 24979733) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID24979733
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H20N2O2S/c16-14(18)10-5-7-17(8-6-10)15(19)13-9-11-3-1-2-4-12(11)20-13/h9-10H,1-8H2,(H2,16,18)
InChIKeyNSVQGQOYPMJXTI-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide (CID 24979733) is 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NSVQGQOYPMJXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(18)10-5-7-17(8-6-10)15(19)13-9-11-3-1-2-4-12(11)20-13/h9-10H,1-8H2,(H2,16,18).
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24979733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).