(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one

C16H31N3O — CID 69143170

IUPAC(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)15(17)16(20)19-10-6-14(7-11-19)13-4-8-18(3)9-5-13/h12-15H,4-11,17H2,1-3H3/t15-/m1/s1
InChIKeyLACFUHAFRBTLAB-OAHLLOKOSA-N
MW281.44 g/mol
LogP1.55
Rot. Bonds3

About (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one

(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 69143170) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
PubChem CID69143170
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)15(17)16(20)19-10-6-14(7-11-19)13-4-8-18(3)9-5-13/h12-15H,4-11,17H2,1-3H3/t15-/m1/s1
InChIKeyLACFUHAFRBTLAB-OAHLLOKOSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 23540159
(2S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 28745495
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 23540162
(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
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 69329121
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
CID 169182421
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one (CID 69143170) is (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one is CC(C)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is LACFUHAFRBTLAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)15(17)16(20)19-10-6-14(7-11-19)13-4-8-18(3)9-5-13/h12-15H,4-11,17H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one?
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 69143170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).