(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one

C14H28N2O — CID 83052045

IUPAC(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
SMILESCCCC1CCCCN1C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C14H28N2O/c1-4-8-12-9-6-7-10-16(12)14(17)13(15)11(3)5-2/h11-13H,4-10,15H2,1-3H3/t11-,12?,13-/m0/s1
InChIKeyXUFCVIYQBHRTDY-RXTYADHFSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one

(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one (PubChem CID 83052045) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
PubChem CID83052045
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
SMILESCCCC1CCCCN1C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C14H28N2O/c1-4-8-12-9-6-7-10-16(12)14(17)13(15)11(3)5-2/h11-13H,4-10,15H2,1-3H3/t11-,12?,13-/m0/s1
InChIKeyXUFCVIYQBHRTDY-RXTYADHFSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 60964211
6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one
CID 83053688
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one (CID 83052045) is (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one is CCCC1CCCCN1C(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one?
The InChIKey is XUFCVIYQBHRTDY-RXTYADHFSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-8-12-9-6-7-10-16(12)14(17)13(15)11(3)5-2/h11-13H,4-10,15H2,1-3H3/t11-,12?,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one?
(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 83052045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).