3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one

C16H24N2O2 — CID 82071342

IUPAC3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCCC2C)cc1N
InChIInChI=1S/C16H24N2O2/c1-12-5-3-4-10-18(12)16(19)9-7-13-6-8-15(20-2)14(17)11-13/h6,8,11-12H,3-5,7,9-10,17H2,1-2H3
InChIKeyFFVPKMGHOSEZKK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one

3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 82071342) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID82071342
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCCC2C)cc1N
InChIInChI=1S/C16H24N2O2/c1-12-5-3-4-10-18(12)16(19)9-7-13-6-8-15(20-2)14(17)11-13/h6,8,11-12H,3-5,7,9-10,17H2,1-2H3
InChIKeyFFVPKMGHOSEZKK-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071355
3-(3-amino-4-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071343
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
3-(5-amino-2,3-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071334
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
3-(3-amino-4-methoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 82153341
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one
CID 119467261
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119466699
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304
2-(3,4-diaminophenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 21294525
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110801591

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one (CID 82071342) is 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one is COc1ccc(CCC(=O)N2CCCCC2C)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FFVPKMGHOSEZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-3-4-10-18(12)16(19)9-7-13-6-8-15(20-2)14(17)11-13/h6,8,11-12H,3-5,7,9-10,17H2,1-2H3.
What are the key properties of 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82071342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).