2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide

C11H23N3O2 — CID 107394759

IUPAC2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
SMILESCOC1(C)CCCN(CCC(N)C(N)=O)C1
InChIInChI=1S/C11H23N3O2/c1-11(16-2)5-3-6-14(8-11)7-4-9(12)10(13)15/h9H,3-8,12H2,1-2H3,(H2,13,15)
InChIKeyCCAXXVSYYVBOKC-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.31
Rot. Bonds5

About 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide

2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide (PubChem CID 107394759) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
PubChem CID107394759
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
SMILESCOC1(C)CCCN(CCC(N)C(N)=O)C1
InChIInChI=1S/C11H23N3O2/c1-11(16-2)5-3-6-14(8-11)7-4-9(12)10(13)15/h9H,3-8,12H2,1-2H3,(H2,13,15)
InChIKeyCCAXXVSYYVBOKC-UHFFFAOYSA-N
XLogP-0.31
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
CID 107394626
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
1-(3,5-difluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395261

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
The IUPAC name of 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide (CID 107394759) is 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide is COC1(C)CCCN(CCC(N)C(N)=O)C1.
What is the InChIKey of 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
The InChIKey is CCAXXVSYYVBOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(16-2)5-3-6-14(8-11)7-4-9(12)10(13)15/h9H,3-8,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 107394759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).