(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one

C15H28N2O2 — CID 91660181

IUPAC(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-11(2)14(16)15(18)17-7-3-12(4-8-17)13-5-9-19-10-6-13/h11-14H,3-10,16H2,1-2H3/t14-/m0/s1
InChIKeyCTDYKMULUOGIEE-AWEZNQCLSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds3

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

(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 91660181) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one
PubChem CID91660181
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-11(2)14(16)15(18)17-7-3-12(4-8-17)13-5-9-19-10-6-13/h11-14H,3-10,16H2,1-2H3/t14-/m0/s1
InChIKeyCTDYKMULUOGIEE-AWEZNQCLSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone
CID 86769729
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
(3S)-1,3-dimethyl-4-[4-(oxan-4-yl)butyl]piperazin-2-one
CID 100703913
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908863
3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813237
(3,5-dimethylpiperazin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 57856227
(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide
CID 61154927
(2S)-2-amino-4-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 63707986
(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 63980158
(3S)-3-(tetrahydro-2H-pyran-4-ylmethyl)-2,5-piperazinedione
CID 66582474
3-(tetrahydro-2H-pyran-4-ylmethyl)-2,5-piperazinedione
CID 66582498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one (CID 91660181) is (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one is CC(C)[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is CTDYKMULUOGIEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)14(16)15(18)17-7-3-12(4-8-17)13-5-9-19-10-6-13/h11-14H,3-10,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one?
(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 91660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).