N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

C23H28N2O4 — CID 169413429

IUPACN-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-16-14-20(19-8-5-13-28-19)29-23(27)21(16)22(26)24-18-9-11-25(12-10-18)15-17-6-3-2-4-7-17/h2-4,6-7,14,18-19H,5,8-13,15H2,1H3,(H,24,26)
InChIKeyOFOOLPZSMCDPDD-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.19
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (PubChem CID 169413429) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
PubChem CID169413429
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-16-14-20(19-8-5-13-28-19)29-23(27)21(16)22(26)24-18-9-11-25(12-10-18)15-17-6-3-2-4-7-17/h2-4,6-7,14,18-19H,5,8-13,15H2,1H3,(H,24,26)
InChIKeyOFOOLPZSMCDPDD-UHFFFAOYSA-N
XLogP3.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (CID 169413429) is N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The InChIKey is OFOOLPZSMCDPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-14-20(19-8-5-13-28-19)29-23(27)21(16)22(26)24-18-9-11-25(12-10-18)15-17-6-3-2-4-7-17/h2-4,6-7,14,18-19H,5,8-13,15H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.19, 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)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is sourced from PubChem (CID 169413429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).