(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one

C15H22N2O2 — CID 124590633

IUPAC(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
SMILESCO[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-19-13-8-5-9-17(11-13)15(18)14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3/t13-,14+/m0/s1
InChIKeyRUIVMNUILOZVJK-UONOGXRCSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds4

About (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one

(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 124590633) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
PubChem CID124590633
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
SMILESCO[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-19-13-8-5-9-17(11-13)15(18)14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3/t13-,14+/m0/s1
InChIKeyRUIVMNUILOZVJK-UONOGXRCSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 119956655
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one (CID 124590633) is (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one is CO[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RUIVMNUILOZVJK-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-13-8-5-9-17(11-13)15(18)14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one?
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 124590633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).