(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C18H28N2O3 — CID 119543155

IUPAC(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(CNC)CC2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-4-22-16-7-6-15(12-17(16)23-5-2)18(21)20-10-8-14(9-11-20)13-19-3/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3
InChIKeyGIVKAUSNSSTACQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.56
Rot. Bonds7

About (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119543155) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119543155
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(CNC)CC2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-4-22-16-7-6-15(12-17(16)23-5-2)18(21)20-10-8-14(9-11-20)13-19-3/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3
InChIKeyGIVKAUSNSSTACQ-UHFFFAOYSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119543155) is (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(CNC)CC2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is GIVKAUSNSSTACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-22-16-7-6-15(12-17(16)23-5-2)18(21)20-10-8-14(9-11-20)13-19-3/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 320.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119543155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).