1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide

C18H26N2O4 — CID 46576371

IUPAC1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(C(=O)NC)CC2)cc1OCC
InChIInChI=1S/C18H26N2O4/c1-4-23-15-7-6-14(12-16(15)24-5-2)18(22)20-10-8-13(9-11-20)17(21)19-3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21)
InChIKeyQIEVFBZKMXYQGG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.08
Rot. Bonds6

About 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide

1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 46576371) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID46576371
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(C(=O)NC)CC2)cc1OCC
InChIInChI=1S/C18H26N2O4/c1-4-23-15-7-6-14(12-16(15)24-5-2)18(22)20-10-8-13(9-11-20)17(21)19-3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21)
InChIKeyQIEVFBZKMXYQGG-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide (CID 46576371) is 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide is CCOc1ccc(C(=O)N2CCC(C(=O)NC)CC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is QIEVFBZKMXYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-23-15-7-6-14(12-16(15)24-5-2)18(22)20-10-8-13(9-11-20)17(21)19-3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21).
What are the key properties of 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46576371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).