N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C25H29N3O3 — CID 25276306

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C25H29N3O3/c1-19-10-11-22(30-19)18-27(2)25(29)23-8-3-4-9-24(23)31-21-12-15-28(16-13-21)17-20-7-5-6-14-26-20/h3-11,14,21H,12-13,15-18H2,1-2H3
InChIKeyGOGBHBINYCZCPG-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.30
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 25276306) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID25276306
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C25H29N3O3/c1-19-10-11-22(30-19)18-27(2)25(29)23-8-3-4-9-24(23)31-21-12-15-28(16-13-21)17-20-7-5-6-14-26-20/h3-11,14,21H,12-13,15-18H2,1-2H3
InChIKeyGOGBHBINYCZCPG-UHFFFAOYSA-N
XLogP4.30
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 25276306) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1ccc(CN(C)C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is GOGBHBINYCZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-10-11-22(30-19)18-27(2)25(29)23-8-3-4-9-24(23)31-21-12-15-28(16-13-21)17-20-7-5-6-14-26-20/h3-11,14,21H,12-13,15-18H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 419.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25276306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).