(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone

C15H21NO2 — CID 116569556

IUPAC(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCCOc1cccc(C(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C15H21NO2/c1-3-18-13-7-4-6-12(10-13)14(17)15(2)8-5-9-16-11-15/h4,6-7,10,16H,3,5,8-9,11H2,1-2H3
InChIKeyIMBJEURBGSVOSD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds4

About (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone

(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 116569556) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
PubChem CID116569556
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCCOc1cccc(C(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C15H21NO2/c1-3-18-13-7-4-6-12(10-13)14(17)15(2)8-5-9-16-11-15/h4,6-7,10,16H,3,5,8-9,11H2,1-2H3
InChIKeyIMBJEURBGSVOSD-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580623
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570011
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone (CID 116569556) is (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone is CCOc1cccc(C(=O)C2(C)CCCNC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is IMBJEURBGSVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-13-7-4-6-12(10-13)14(17)15(2)8-5-9-16-11-15/h4,6-7,10,16H,3,5,8-9,11H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone?
(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).