2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide

C12H25N3O — CID 79994470

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC1CC(N)CN(C(C)C(=O)NC(C)C)C1
InChIInChI=1S/C12H25N3O/c1-8(2)14-12(16)10(4)15-6-9(3)5-11(13)7-15/h8-11H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyALZIQWFANFULRS-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds3

About 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide

2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 79994470) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID79994470
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC1CC(N)CN(C(C)C(=O)NC(C)C)C1
InChIInChI=1S/C12H25N3O/c1-8(2)14-12(16)10(4)15-6-9(3)5-11(13)7-15/h8-11H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyALZIQWFANFULRS-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-methylpropanamide
CID 79993684
2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 79993821
2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 81492569
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 79993020
2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide
CID 63282373
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide (CID 79994470) is 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide is CC1CC(N)CN(C(C)C(=O)NC(C)C)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is ALZIQWFANFULRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-8(2)14-12(16)10(4)15-6-9(3)5-11(13)7-15/h8-11H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 79994470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).