3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide

C13H27N3O2 — CID 107394680

IUPAC3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCOC1(C)CCCN(CC(NC(C)C)C(N)=O)C1
InChIInChI=1S/C13H27N3O2/c1-10(2)15-11(12(14)17)8-16-7-5-6-13(3,9-16)18-4/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyUVAAKGPFFNXQSR-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds6

About 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide

3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide (PubChem CID 107394680) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
PubChem CID107394680
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCOC1(C)CCCN(CC(NC(C)C)C(N)=O)C1
InChIInChI=1S/C13H27N3O2/c1-10(2)15-11(12(14)17)8-16-7-5-6-13(3,9-16)18-4/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyUVAAKGPFFNXQSR-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
5-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-1-amine
CID 107393262
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
CID 63972759
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide (CID 107394680) is 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide is COC1(C)CCCN(CC(NC(C)C)C(N)=O)C1.
What is the InChIKey of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide?
The InChIKey is UVAAKGPFFNXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)15-11(12(14)17)8-16-7-5-6-13(3,9-16)18-4/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide?
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 107394680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).