1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide

C15H17N3O2S — CID 2816288

IUPAC1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2csc3ccccc23)CC1
InChIInChI=1S/C15H17N3O2S/c16-14(19)10-5-7-18(8-6-10)15(20)17-12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H2,16,19)(H,17,20)
InChIKeyDIUJUKDDAKDFSF-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.63
Rot. Bonds2

About 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide

1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide (PubChem CID 2816288) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide
PubChem CID2816288
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2csc3ccccc23)CC1
InChIInChI=1S/C15H17N3O2S/c16-14(19)10-5-7-18(8-6-10)15(20)17-12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H2,16,19)(H,17,20)
InChIKeyDIUJUKDDAKDFSF-UHFFFAOYSA-N
XLogP2.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide (CID 2816288) is 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)Nc2csc3ccccc23)CC1.
What is the InChIKey of 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide?
The InChIKey is DIUJUKDDAKDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-14(19)10-5-7-18(8-6-10)15(20)17-12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H2,16,19)(H,17,20).
What are the key properties of 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide?
1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzothiophen-3-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 2816288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).