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

C26H30N2O4 — CID 4903631

IUPACN-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide
SMILESCc1cc(OC(C)C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C26H30N2O4/c1-17-13-22(25-18(2)15-24(29)32-23(25)14-17)31-19(3)26(30)27-21-9-11-28(12-10-21)16-20-7-5-4-6-8-20/h4-8,13-15,19,21H,9-12,16H2,1-3H3,(H,27,30)
InChIKeyFLTGTKMCAXLARS-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.96
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide (PubChem CID 4903631) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide
PubChem CID4903631
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide
SMILESCc1cc(OC(C)C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C26H30N2O4/c1-17-13-22(25-18(2)15-24(29)32-23(25)14-17)31-19(3)26(30)27-21-9-11-28(12-10-21)16-20-7-5-4-6-8-20/h4-8,13-15,19,21H,9-12,16H2,1-3H3,(H,27,30)
InChIKeyFLTGTKMCAXLARS-UHFFFAOYSA-N
XLogP3.96
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.96
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)oxypropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide (CID 4903631) is N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide is Cc1cc(OC(C)C(=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)oxypropanamide?
The InChIKey is FLTGTKMCAXLARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17-13-22(25-18(2)15-24(29)32-23(25)14-17)31-19(3)26(30)27-21-9-11-28(12-10-21)16-20-7-5-4-6-8-20/h4-8,13-15,19,21H,9-12,16H2,1-3H3,(H,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide?
N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanamide has a molecular weight of 434.54 g/mol, XLogP of 3.96, 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)oxypropanamide is sourced from PubChem (CID 4903631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).