2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide

C17H25N3O5 — CID 56720896

IUPAC2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
SMILESCOc1cccc(CN2CCCC(O)(CNCC(N)=O)C2=O)c1OC
InChIInChI=1S/C17H25N3O5/c1-24-13-6-3-5-12(15(13)25-2)10-20-8-4-7-17(23,16(20)22)11-19-9-14(18)21/h3,5-6,19,23H,4,7-11H2,1-2H3,(H2,18,21)
InChIKeyZXSSFXQRYOPOAD-UHFFFAOYSA-N
MW351.40 g/mol
LogP-0.37
Rot. Bonds8

About 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide

2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide (PubChem CID 56720896) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
PubChem CID56720896
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
SMILESCOc1cccc(CN2CCCC(O)(CNCC(N)=O)C2=O)c1OC
InChIInChI=1S/C17H25N3O5/c1-24-13-6-3-5-12(15(13)25-2)10-20-8-4-7-17(23,16(20)22)11-19-9-14(18)21/h3,5-6,19,23H,4,7-11H2,1-2H3,(H2,18,21)
InChIKeyZXSSFXQRYOPOAD-UHFFFAOYSA-N
XLogP-0.37
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one
CID 95202962
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
CID 95222280
(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(prop-2-enylamino)methyl]piperidin-2-one
CID 95388499
(3S)-3-[(tert-butylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95198990
(3S)-3-[(cyclopropylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95388497
(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(1,2-oxazol-5-ylmethylamino)methyl]piperidin-2-one
CID 95203880
(3S)-3-[(cycloheptylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205724
1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one
CID 56722761
2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
CID 126448599
1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(piperazin-1-ylmethyl)piperidin-2-one
CID 56710713
(5S)-2-acetyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401748
4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95230937

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
The IUPAC name of 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide (CID 56720896) is 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
The canonical SMILES for 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide is COc1cccc(CN2CCCC(O)(CNCC(N)=O)C2=O)c1OC.
What is the InChIKey of 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
The InChIKey is ZXSSFXQRYOPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-24-13-6-3-5-12(15(13)25-2)10-20-8-4-7-17(23,16(20)22)11-19-9-14(18)21/h3,5-6,19,23H,4,7-11H2,1-2H3,(H2,18,21).
What are the key properties of 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide?
2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide has a molecular weight of 351.40 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide is sourced from PubChem (CID 56720896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).