N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide

C18H18N2O3S — CID 2817122

IUPACN-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C18H18N2O3S/c21-15(10-20-8-4-1-5-9-20)19-17-16-13(11-24-17)12-6-2-3-7-14(12)23-18(16)22/h2-3,6-7,11H,1,4-5,8-10H2,(H,19,21)
InChIKeyPYGCCTOKPOIZGS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.43
Rot. Bonds3

About N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide

N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide (PubChem CID 2817122) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide
PubChem CID2817122
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C18H18N2O3S/c21-15(10-20-8-4-1-5-9-20)19-17-16-13(11-24-17)12-6-2-3-7-14(12)23-18(16)22/h2-3,6-7,11H,1,4-5,8-10H2,(H,19,21)
InChIKeyPYGCCTOKPOIZGS-UHFFFAOYSA-N
XLogP3.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide (CID 2817122) is N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1scc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide?
The InChIKey is PYGCCTOKPOIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-15(10-20-8-4-1-5-9-20)19-17-16-13(11-24-17)12-6-2-3-7-14(12)23-18(16)22/h2-3,6-7,11H,1,4-5,8-10H2,(H,19,21).
What are the key properties of N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide?
N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide has a molecular weight of 342.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxothieno[3,4-c]chromen-3-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2817122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).