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

C19H30N2O3 — CID 119644683

IUPAC(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1
InChIInChI=1S/C19H30N2O3/c1-4-20-14-15-9-11-21(12-10-15)19(22)16-7-8-17(23-5-2)18(13-16)24-6-3/h7-8,13,15,20H,4-6,9-12,14H2,1-3H3
InChIKeyWXLDRAADKBRJAQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.95
Rot. Bonds8

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

(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119644683) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119644683
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1
InChIInChI=1S/C19H30N2O3/c1-4-20-14-15-9-11-21(12-10-15)19(22)16-7-8-17(23-5-2)18(13-16)24-6-3/h7-8,13,15,20H,4-6,9-12,14H2,1-3H3
InChIKeyWXLDRAADKBRJAQ-UHFFFAOYSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
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-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119644683) is (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1.
What is the InChIKey of (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is WXLDRAADKBRJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-20-14-15-9-11-21(12-10-15)19(22)16-7-8-17(23-5-2)18(13-16)24-6-3/h7-8,13,15,20H,4-6,9-12,14H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119644683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).