2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one

C17H24N2O3 — CID 119466539

IUPAC2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCCCC2CN)c1
InChIInChI=1S/C17H24N2O3/c1-12(20)14-6-5-8-16(10-14)22-13(2)17(21)19-9-4-3-7-15(19)11-18/h5-6,8,10,13,15H,3-4,7,9,11,18H2,1-2H3
InChIKeyUCWOKUXORCGWMN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.00
Rot. Bonds5

About 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one

2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119466539) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119466539
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCCCC2CN)c1
InChIInChI=1S/C17H24N2O3/c1-12(20)14-6-5-8-16(10-14)22-13(2)17(21)19-9-4-3-7-15(19)11-18/h5-6,8,10,13,15H,3-4,7,9,11,18H2,1-2H3
InChIKeyUCWOKUXORCGWMN-UHFFFAOYSA-N
XLogP2.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119631303
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119466741
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119631520
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-bromophenoxy)propan-1-one;hydrochloride
CID 119633619
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 119466790
2-(3-acetylphenoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 122151886
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-one
CID 119633499
2-(3-chlorophenoxy)-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63249461
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one (CID 119466539) is 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one is CC(=O)c1cccc(OC(C)C(=O)N2CCCCC2CN)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is UCWOKUXORCGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(20)14-6-5-8-16(10-14)22-13(2)17(21)19-9-4-3-7-15(19)11-18/h5-6,8,10,13,15H,3-4,7,9,11,18H2,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one?
2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119466539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).