4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide

C13H25N3O3 — CID 81076250

IUPAC4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
SMILESCOCC(=O)N1CCC(NC(=O)CC(C)CN)CC1
InChIInChI=1S/C13H25N3O3/c1-10(8-14)7-12(17)15-11-3-5-16(6-4-11)13(18)9-19-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyAPXBKAKNBJHTLY-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.28
Rot. Bonds6

About 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide

4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 81076250) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID81076250
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
SMILESCOCC(=O)N1CCC(NC(=O)CC(C)CN)CC1
InChIInChI=1S/C13H25N3O3/c1-10(8-14)7-12(17)15-11-3-5-16(6-4-11)13(18)9-19-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyAPXBKAKNBJHTLY-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide (CID 81076250) is 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide is COCC(=O)N1CCC(NC(=O)CC(C)CN)CC1.
What is the InChIKey of 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is APXBKAKNBJHTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(8-14)7-12(17)15-11-3-5-16(6-4-11)13(18)9-19-2/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide?
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 271.36 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 81076250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).