2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one

C15H22N2O2 — CID 102957634

IUPAC2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
SMILESCOC1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(16,12-7-4-3-5-8-12)14(18)17-10-6-9-13(11-17)19-2/h3-5,7-8,13H,6,9-11,16H2,1-2H3
InChIKeyMCAYFKPTQRPYNK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one

2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one (PubChem CID 102957634) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
PubChem CID102957634
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
SMILESCOC1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(16,12-7-4-3-5-8-12)14(18)17-10-6-9-13(11-17)19-2/h3-5,7-8,13H,6,9-11,16H2,1-2H3
InChIKeyMCAYFKPTQRPYNK-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
CID 66372006

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one (CID 102957634) is 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one is COC1CCCN(C(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one?
The InChIKey is MCAYFKPTQRPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(16,12-7-4-3-5-8-12)14(18)17-10-6-9-13(11-17)19-2/h3-5,7-8,13H,6,9-11,16H2,1-2H3.
What are the key properties of 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one?
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 102957634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).