N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

C25H28N2O4 — CID 4907613

IUPACN-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C25H28N2O4/c1-17-12-21(25-18(2)14-24(29)31-22(25)13-17)30-16-23(28)26-20-8-10-27(11-9-20)15-19-6-4-3-5-7-19/h3-7,12-14,20H,8-11,15-16H2,1-2H3,(H,26,28)
InChIKeyDRFPTAZYYDAWFF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.57
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 4907613) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID4907613
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C25H28N2O4/c1-17-12-21(25-18(2)14-24(29)31-22(25)13-17)30-16-23(28)26-20-8-10-27(11-9-20)15-19-6-4-3-5-7-19/h3-7,12-14,20H,8-11,15-16H2,1-2H3,(H,26,28)
InChIKeyDRFPTAZYYDAWFF-UHFFFAOYSA-N
XLogP3.57
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.57
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)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (CID 4907613) is N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is DRFPTAZYYDAWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17-12-21(25-18(2)14-24(29)31-22(25)13-17)30-16-23(28)26-20-8-10-27(11-9-20)15-19-6-4-3-5-7-19/h3-7,12-14,20H,8-11,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 420.51 g/mol, XLogP of 3.57, 6 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)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 4907613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).