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

C16H24N2O2 — CID 82064904

IUPAC1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCC(C)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-12-4-3-8-18(11-12)9-7-15(19)13-5-6-16(20-2)14(17)10-13/h5-6,10,12H,3-4,7-9,11,17H2,1-2H3
InChIKeyVAIUNUHSZSOLGZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds5

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

1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 82064904) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID82064904
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCC(C)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-12-4-3-8-18(11-12)9-7-15(19)13-5-6-16(20-2)14(17)10-13/h5-6,10,12H,3-4,7-9,11,17H2,1-2H3
InChIKeyVAIUNUHSZSOLGZ-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261
1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82064861
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050418
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (CID 82064904) is 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is COc1ccc(C(=O)CCN2CCCC(C)C2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is VAIUNUHSZSOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-8-18(11-12)9-7-15(19)13-5-6-16(20-2)14(17)10-13/h5-6,10,12H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82064904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).