(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one

C16H31N3O — CID 103929400

IUPAC(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)14(17)15(20)19-11-7-13(8-12-19)18-9-5-4-6-10-18/h13-14H,4-12,17H2,1-3H3/t14-/m0/s1
InChIKeyZARKOPCZDBBZBU-AWEZNQCLSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one

(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one (PubChem CID 103929400) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
PubChem CID103929400
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)14(17)15(20)19-11-7-13(8-12-19)18-9-5-4-6-10-18/h13-14H,4-12,17H2,1-3H3/t14-/m0/s1
InChIKeyZARKOPCZDBBZBU-AWEZNQCLSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103929897
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58584550
(2S)-2-amino-3,3-dimethyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]butan-1-one
CID 119735035
2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 77073242
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one (CID 103929400) is (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one is CC(C)(C)[C@@H](N)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
The InChIKey is ZARKOPCZDBBZBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)14(17)15(20)19-11-7-13(8-12-19)18-9-5-4-6-10-18/h13-14H,4-12,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 103929400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).