(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one

C16H24N2O4 — CID 95202962

IUPAC(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one
SMILESCNC[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O
InChIInChI=1S/C16H24N2O4/c1-17-11-16(20)8-5-9-18(15(16)19)10-12-6-4-7-13(21-2)14(12)22-3/h4,6-7,17,20H,5,8-11H2,1-3H3/t16-/m1/s1
InChIKeyNKAHWHZYSYKKNT-MRXNPFEDSA-N
MW308.38 g/mol
LogP0.78
Rot. Bonds6

About (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one

(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one (PubChem CID 95202962) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one
PubChem CID95202962
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one
SMILESCNC[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O
InChIInChI=1S/C16H24N2O4/c1-17-11-16(20)8-5-9-18(15(16)19)10-12-6-4-7-13(21-2)14(12)22-3/h4,6-7,17,20H,5,8-11H2,1-3H3/t16-/m1/s1
InChIKeyNKAHWHZYSYKKNT-MRXNPFEDSA-N
XLogP0.78
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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-[(cycloheptylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205724
2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
CID 56720896
1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one
CID 56722761
(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(1,2-oxazol-5-ylmethylamino)methyl]piperidin-2-one
CID 95203880
1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(piperazin-1-ylmethyl)piperidin-2-one
CID 56710713
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one
CID 95198220
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 95219529
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 (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one?
The IUPAC name of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one (CID 95202962) is (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one.
What is the SMILES notation for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one?
The canonical SMILES for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one is CNC[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O.
What is the InChIKey of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one?
The InChIKey is NKAHWHZYSYKKNT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-17-11-16(20)8-5-9-18(15(16)19)10-12-6-4-7-13(21-2)14(12)22-3/h4,6-7,17,20H,5,8-11H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one?
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(methylaminomethyl)piperidin-2-one is sourced from PubChem (CID 95202962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).