N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C24H28N2O5 — CID 46669638

IUPACN-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-29-20-7-4-17(5-8-20)2-3-18-10-12-26(13-11-18)23(27)15-25-24(28)19-6-9-21-22(14-19)31-16-30-21/h4-9,14,18H,2-3,10-13,15-16H2,1H3,(H,25,28)
InChIKeyIRPGVFGHQQTHQJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 46669638) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID46669638
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-29-20-7-4-17(5-8-20)2-3-18-10-12-26(13-11-18)23(27)15-25-24(28)19-6-9-21-22(14-19)31-16-30-21/h4-9,14,18H,2-3,10-13,15-16H2,1H3,(H,25,28)
InChIKeyIRPGVFGHQQTHQJ-UHFFFAOYSA-N
XLogP3.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]benzamide
CID 37033418
N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24548040
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 25451717
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 51288044
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788157
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 46086708
N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 110288459
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 46669638) is N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IRPGVFGHQQTHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-20-7-4-17(5-8-20)2-3-18-10-12-26(13-11-18)23(27)15-25-24(28)19-6-9-21-22(14-19)31-16-30-21/h4-9,14,18H,2-3,10-13,15-16H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46669638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).