N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C20H28N2O3 — CID 119047579

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C2(C)CC3CCC2O3)C1
InChIInChI=1S/C20H28N2O3/c1-20(12-15-9-10-18(20)25-15)19(23)21-14-6-5-11-22(13-14)16-7-3-4-8-17(16)24-2/h3-4,7-8,14-15,18H,5-6,9-13H2,1-2H3,(H,21,23)
InChIKeyMAQOZUXXWPCDQV-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119047579) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119047579
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C2(C)CC3CCC2O3)C1
InChIInChI=1S/C20H28N2O3/c1-20(12-15-9-10-18(20)25-15)19(23)21-14-6-5-11-22(13-14)16-7-3-4-8-17(16)24-2/h3-4,7-8,14-15,18H,5-6,9-13H2,1-2H3,(H,21,23)
InChIKeyMAQOZUXXWPCDQV-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 119047579) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide is COc1ccccc1N1CCCC(NC(=O)C2(C)CC3CCC2O3)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MAQOZUXXWPCDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-20(12-15-9-10-18(20)25-15)19(23)21-14-6-5-11-22(13-14)16-7-3-4-8-17(16)24-2/h3-4,7-8,14-15,18H,5-6,9-13H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119047579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).