3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide

C13H27N3O2 — CID 107394805

IUPAC3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1CCCC(C)(OC)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-4-7-15-11(12(14)17)9-16-8-5-6-13(2,10-16)18-3/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyYCJHGMIAQPLFQA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds7

About 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide

3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide (PubChem CID 107394805) 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-(propylamino)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
PubChem CID107394805
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1CCCC(C)(OC)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-4-7-15-11(12(14)17)9-16-8-5-6-13(2,10-16)18-3/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyYCJHGMIAQPLFQA-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(propan-2-ylamino)propanamide
CID 107394680
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanamide
CID 102745496
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394710
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 63009895
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-(propylamino)propanamide?
The IUPAC name of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide (CID 107394805) is 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide.
What is the SMILES notation for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
The canonical SMILES for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide is CCCNC(CN1CCCC(C)(OC)C1)C(N)=O.
What is the InChIKey of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
The InChIKey is YCJHGMIAQPLFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-7-15-11(12(14)17)9-16-8-5-6-13(2,10-16)18-3/h11,15H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 7 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-(propylamino)propanamide is sourced from PubChem (CID 107394805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).