(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one

C16H24N2O2 — CID 104983889

IUPAC(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
SMILESCOC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-14-9-11-18(12-10-14)16(19)15(17)8-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3/t15-/m0/s1
InChIKeyNTWIHYWSVFGFJO-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds5

About (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one

(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one (PubChem CID 104983889) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
PubChem CID104983889
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
SMILESCOC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-14-9-11-18(12-10-14)16(19)15(17)8-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3/t15-/m0/s1
InChIKeyNTWIHYWSVFGFJO-HNNXBMFYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
CID 155955397
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
2-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 114928192
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 104984443
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one (CID 104983889) is (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one is COC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is NTWIHYWSVFGFJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-14-9-11-18(12-10-14)16(19)15(17)8-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one?
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 104983889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).