3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide

C16H23N3O4 — CID 119425199

IUPAC3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
SMILESCNC(=O)COc1ccc(C(=O)NC2CCCNC2)cc1OC
InChIInChI=1S/C16H23N3O4/c1-17-15(20)10-23-13-6-5-11(8-14(13)22-2)16(21)19-12-4-3-7-18-9-12/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyNSZCYJNIRBYYBL-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.30
Rot. Bonds6

About 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide

3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide (PubChem CID 119425199) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
PubChem CID119425199
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
SMILESCNC(=O)COc1ccc(C(=O)NC2CCCNC2)cc1OC
InChIInChI=1S/C16H23N3O4/c1-17-15(20)10-23-13-6-5-11(8-14(13)22-2)16(21)19-12-4-3-7-18-9-12/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyNSZCYJNIRBYYBL-UHFFFAOYSA-N
XLogP0.30
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide
CID 177120927
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide (CID 119425199) is 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide is CNC(=O)COc1ccc(C(=O)NC2CCCNC2)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide?
The InChIKey is NSZCYJNIRBYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-17-15(20)10-23-13-6-5-11(8-14(13)22-2)16(21)19-12-4-3-7-18-9-12/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide?
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119425199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).