3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C22H28N2O5 — CID 24792003

IUPAC3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H28N2O5/c1-15-5-7-19(28-15)14-23(3)22(26)17-6-8-20(27-4)21(13-17)29-18-9-11-24(12-10-18)16(2)25/h5-8,13,18H,9-12,14H2,1-4H3
InChIKeyOSSGFOKHKWINKF-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.26
Rot. Bonds6

About 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 24792003) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID24792003
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H28N2O5/c1-15-5-7-19(28-15)14-23(3)22(26)17-6-8-20(27-4)21(13-17)29-18-9-11-24(12-10-18)16(2)25/h5-8,13,18H,9-12,14H2,1-4H3
InChIKeyOSSGFOKHKWINKF-UHFFFAOYSA-N
XLogP3.26
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078
3-(1-acetylpiperidin-4-yl)oxy-N-(3-cyclopentylpropyl)-4-methoxy-N-methylbenzamide
CID 24818955
3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
CID 24817343
3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27780589
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 23723924
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27774718
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 24792003) is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is COc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is OSSGFOKHKWINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-15-5-7-19(28-15)14-23(3)22(26)17-6-8-20(27-4)21(13-17)29-18-9-11-24(12-10-18)16(2)25/h5-8,13,18H,9-12,14H2,1-4H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 24792003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).