N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide

C13H25N3O3 — CID 81083203

IUPACN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCC(N)C(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-9(2)12(17)15-10-4-6-16(7-5-10)13(18)11(14)8-19-3/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyABHTYZMODPQKQZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.28
Rot. Bonds5

About N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 81083203) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID81083203
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCC(N)C(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-9(2)12(17)15-10-4-6-16(7-5-10)13(18)11(14)8-19-3/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyABHTYZMODPQKQZ-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 79473160

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide (CID 81083203) is N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide is COCC(N)C(=O)N1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is ABHTYZMODPQKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)12(17)15-10-4-6-16(7-5-10)13(18)11(14)8-19-3/h9-11H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 271.36 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 81083203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).