(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C15H22N2O3 — CID 102954965

IUPAC(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1c(N)cccc1C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C15H22N2O3/c1-10-7-8-17(9-13(10)19-2)15(18)11-5-4-6-12(16)14(11)20-3/h4-6,10,13H,7-9,16H2,1-3H3
InChIKeyJKHMCCKGHROOPA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.77
Rot. Bonds3

About (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102954965) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102954965
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1c(N)cccc1C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C15H22N2O3/c1-10-7-8-17(9-13(10)19-2)15(18)11-5-4-6-12(16)14(11)20-3/h4-6,10,13H,7-9,16H2,1-3H3
InChIKeyJKHMCCKGHROOPA-UHFFFAOYSA-N
XLogP1.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.77
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

(3-amino-2-bromophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102955000
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(3-amino-2-methoxyphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211013
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid
CID 155957322
(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954888
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
(2-amino-3-methoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530159
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102966244

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102954965) is (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COc1c(N)cccc1C(=O)N1CCC(C)C(OC)C1.
What is the InChIKey of (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is JKHMCCKGHROOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-8-17(9-13(10)19-2)15(18)11-5-4-6-12(16)14(11)20-3/h4-6,10,13H,7-9,16H2,1-3H3.
What are the key properties of (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102954965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).