1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one

C15H22N2O3 — CID 124593466

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1OCCC(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-2-3-7-14(13)20-10-8-15(18)17-9-4-5-12(16)11-17/h2-3,6-7,12H,4-5,8-11,16H2,1H3/t12-/m1/s1
InChIKeyHMXHLZLZSQHOED-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds5

About 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one

1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one (PubChem CID 124593466) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
PubChem CID124593466
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1OCCC(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-2-3-7-14(13)20-10-8-15(18)17-9-4-5-12(16)11-17/h2-3,6-7,12H,4-5,8-11,16H2,1H3/t12-/m1/s1
InChIKeyHMXHLZLZSQHOED-GFCCVEGCSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741
1-(3-aminopiperidin-1-yl)-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 119379852
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 124593638
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
1-(3-aminopiperidin-1-yl)-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119381622
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one (CID 124593466) is 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one is COc1ccccc1OCCC(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one?
The InChIKey is HMXHLZLZSQHOED-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-6-2-3-7-14(13)20-10-8-15(18)17-9-4-5-12(16)11-17/h2-3,6-7,12H,4-5,8-11,16H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one?
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 124593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).