(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one

C12H25N3O — CID 79011713

IUPAC(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)11(13)12(16)15-7-5-10(6-8-15)14(3)4/h9-11H,5-8,13H2,1-4H3/t11-/m1/s1
InChIKeyCKKRDIPBZBTMMX-LLVKDONJSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds3

About (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one

(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 79011713) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID79011713
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)11(13)12(16)15-7-5-10(6-8-15)14(3)4/h9-11H,5-8,13H2,1-4H3/t11-/m1/s1
InChIKeyCKKRDIPBZBTMMX-LLVKDONJSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 77144249
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one (CID 79011713) is (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one is CC(C)[C@@H](N)C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is CKKRDIPBZBTMMX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)11(13)12(16)15-7-5-10(6-8-15)14(3)4/h9-11H,5-8,13H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one?
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 79011713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).