N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide

C23H24N2O4 — CID 26681594

IUPACN-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc12
InChIInChI=1S/C23H24N2O4/c1-28-20-9-5-8-17-14-19(23(27)29-21(17)20)22(26)24-18-10-12-25(13-11-18)15-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,24,26)
InChIKeyXXTZSMMGYBDUDM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.20
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide

N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 26681594) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID26681594
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc12
InChIInChI=1S/C23H24N2O4/c1-28-20-9-5-8-17-14-19(23(27)29-21(17)20)22(26)24-18-10-12-25(13-11-18)15-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,24,26)
InChIKeyXXTZSMMGYBDUDM-UHFFFAOYSA-N
XLogP3.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.20
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-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide (CID 26681594) is N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is XXTZSMMGYBDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-20-9-5-8-17-14-19(23(27)29-21(17)20)22(26)24-18-10-12-25(13-11-18)15-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.20, 5 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-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 26681594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).