3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide

C13H27N3O2 — CID 63972759

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
SMILESCOCC1CCN(CC(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C13H27N3O2/c1-10(2)15-12(13(14)17)8-16-6-4-11(5-7-16)9-18-3/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyZJTIQRAKISJRHZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide

3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide (PubChem CID 63972759) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
PubChem CID63972759
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
SMILESCOCC1CCN(CC(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C13H27N3O2/c1-10(2)15-12(13(14)17)8-16-6-4-11(5-7-16)9-18-3/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyZJTIQRAKISJRHZ-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
CID 64791193
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
1-cyclopropyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971523
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide (CID 63972759) is 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide is COCC1CCN(CC(NC(C)C)C(N)=O)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide?
The InChIKey is ZJTIQRAKISJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)15-12(13(14)17)8-16-6-4-11(5-7-16)9-18-3/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide?
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63972759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).