(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone

C15H22N2O3 — CID 102955074

IUPAC(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCCOc1cc(N)cc(C(=O)N2CCCC(OC)C2)c1
InChIInChI=1S/C15H22N2O3/c1-3-20-14-8-11(7-12(16)9-14)15(18)17-6-4-5-13(10-17)19-2/h7-9,13H,3-6,10,16H2,1-2H3
InChIKeyPRWVQBDIGCBFRP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds4

About (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone

(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102955074) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID102955074
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCCOc1cc(N)cc(C(=O)N2CCCC(OC)C2)c1
InChIInChI=1S/C15H22N2O3/c1-3-20-14-8-11(7-12(16)9-14)15(18)17-6-4-5-13(10-17)19-2/h7-9,13H,3-6,10,16H2,1-2H3
InChIKeyPRWVQBDIGCBFRP-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
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-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530161
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273
(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206339
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969355
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 110294879

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone (CID 102955074) is (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone is CCOc1cc(N)cc(C(=O)N2CCCC(OC)C2)c1.
What is the InChIKey of (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is PRWVQBDIGCBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-14-8-11(7-12(16)9-14)15(18)17-6-4-5-13(10-17)19-2/h7-9,13H,3-6,10,16H2,1-2H3.
What are the key properties of (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102955074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).