5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide

C20H30N2O4 — CID 70780214

IUPAC5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide
SMILESCOc1coc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)cc1=O
InChIInChI=1S/C20H30N2O4/c1-21(19(24)17-13-16(23)18(25-2)14-26-17)15-20(9-5-3-6-10-20)22-11-7-4-8-12-22/h13-14H,3-12,15H2,1-2H3
InChIKeyXXXYIEBUYSVXDX-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.91
Rot. Bonds5

About 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide

5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide (PubChem CID 70780214) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide
PubChem CID70780214
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide
SMILESCOc1coc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)cc1=O
InChIInChI=1S/C20H30N2O4/c1-21(19(24)17-13-16(23)18(25-2)14-26-17)15-20(9-5-3-6-10-20)22-11-7-4-8-12-22/h13-14H,3-12,15H2,1-2H3
InChIKeyXXXYIEBUYSVXDX-UHFFFAOYSA-N
XLogP2.91
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide (CID 70780214) is 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide is COc1coc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)cc1=O.
What is the InChIKey of 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide?
The InChIKey is XXXYIEBUYSVXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-21(19(24)17-13-16(23)18(25-2)14-26-17)15-20(9-5-3-6-10-20)22-11-7-4-8-12-22/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide?
5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyran-2-carboxamide is sourced from PubChem (CID 70780214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).