N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide

C25H24N2O3S — CID 20865560

IUPACN-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)sc3c2c1
InChIInChI=1S/C25H24N2O3S/c1-16-7-8-21-19(13-16)23-20(25(29)30-21)14-22(31-23)24(28)26-18-9-11-27(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H,26,28)
InChIKeyRNHKPRWAYPPXBO-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.71
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide (PubChem CID 20865560) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
PubChem CID20865560
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)sc3c2c1
InChIInChI=1S/C25H24N2O3S/c1-16-7-8-21-19(13-16)23-20(25(29)30-21)14-22(31-23)24(28)26-18-9-11-27(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H,26,28)
InChIKeyRNHKPRWAYPPXBO-UHFFFAOYSA-N
XLogP4.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.71
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-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide (CID 20865560) is N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide is Cc1ccc2oc(=O)c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)sc3c2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
The InChIKey is RNHKPRWAYPPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-16-7-8-21-19(13-16)23-20(25(29)30-21)14-22(31-23)24(28)26-18-9-11-27(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H,26,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20865560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).