5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide

C17H24N2O5 — CID 70884035

IUPAC5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CCNCC2OC)c2c1OCCO2
InChIInChI=1S/C17H24N2O5/c1-21-13-4-3-12(15-16(13)24-8-7-23-15)17(20)19-9-11-5-6-18-10-14(11)22-2/h3-4,11,14,18H,5-10H2,1-2H3,(H,19,20)/t11-,14?/m0/s1
InChIKeyMWFQLYPQAMVIJO-ZSOXZCCMSA-N
MW336.39 g/mol
LogP0.82
Rot. Bonds5

About 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide

5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide (PubChem CID 70884035) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
PubChem CID70884035
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CCNCC2OC)c2c1OCCO2
InChIInChI=1S/C17H24N2O5/c1-21-13-4-3-12(15-16(13)24-8-7-23-15)17(20)19-9-11-5-6-18-10-14(11)22-2/h3-4,11,14,18H,5-10H2,1-2H3,(H,19,20)/t11-,14?/m0/s1
InChIKeyMWFQLYPQAMVIJO-ZSOXZCCMSA-N
XLogP0.82
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide with MolForge

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Related Compounds

N-[[(3S,4S)-1-(3-cyanopropyl)-3-methoxypiperidin-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 71214475
4-amino-5-chloro-2-methoxy-N-[[(3S,4R)-3-methoxypiperidin-4-yl]methyl]benzamide;dihydrochloride
CID 70075847
N-[[(4S)-1-butyl-3-hydroxypiperidin-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 70949518
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
N-[3-(4-fluoro-N-methylanilino)-2-hydroxypropyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 3056234
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
6-chloro-N-[[(4S)-1-(3,3-dihydroxypropyl)-3-methoxypiperidin-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 70949511

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The IUPAC name of 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide (CID 70884035) is 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The canonical SMILES for 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide is COc1ccc(C(=O)NC[C@@H]2CCNCC2OC)c2c1OCCO2.
What is the InChIKey of 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The InChIKey is MWFQLYPQAMVIJO-ZSOXZCCMSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-21-13-4-3-12(15-16(13)24-8-7-23-15)17(20)19-9-11-5-6-18-10-14(11)22-2/h3-4,11,14,18H,5-10H2,1-2H3,(H,19,20)/t11-,14?/m0/s1.
What are the key properties of 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide is sourced from PubChem (CID 70884035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).