1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide

C18H22N2O2S — CID 119159265

IUPAC1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCCc2csc3ccccc23)CC1
InChIInChI=1S/C18H22N2O2S/c19-18(22)13-8-10-20(11-9-13)17(21)7-3-4-14-12-23-16-6-2-1-5-15(14)16/h1-2,5-6,12-13H,3-4,7-11H2,(H2,19,22)
InChIKeyGDKDTECNOBQPLA-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.95
Rot. Bonds5

About 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide

1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide (PubChem CID 119159265) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide
PubChem CID119159265
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCCc2csc3ccccc23)CC1
InChIInChI=1S/C18H22N2O2S/c19-18(22)13-8-10-20(11-9-13)17(21)7-3-4-14-12-23-16-6-2-1-5-15(14)16/h1-2,5-6,12-13H,3-4,7-11H2,(H2,19,22)
InChIKeyGDKDTECNOBQPLA-UHFFFAOYSA-N
XLogP2.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide (CID 119159265) is 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCCc2csc3ccccc23)CC1.
What is the InChIKey of 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide?
The InChIKey is GDKDTECNOBQPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-18(22)13-8-10-20(11-9-13)17(21)7-3-4-14-12-23-16-6-2-1-5-15(14)16/h1-2,5-6,12-13H,3-4,7-11H2,(H2,19,22).
What are the key properties of 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide?
1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 119159265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).