1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide

C17H24N2O4 — CID 976244

IUPAC1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1OCC
InChIInChI=1S/C17H24N2O4/c1-3-22-14-6-5-13(11-15(14)23-4-2)17(21)19-9-7-12(8-10-19)16(18)20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,18,20)
InChIKeyVAONPNHJEWTOTE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.82
Rot. Bonds6

About 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide

1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 976244) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
PubChem CID976244
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1OCC
InChIInChI=1S/C17H24N2O4/c1-3-22-14-6-5-13(11-15(14)23-4-2)17(21)19-9-7-12(8-10-19)16(18)20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,18,20)
InChIKeyVAONPNHJEWTOTE-UHFFFAOYSA-N
XLogP1.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
1-[3-ethoxy-4-(2-phenoxyethoxy)benzenecarbothioyl]piperidine-4-carboxamide
CID 126210649
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662274
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide (CID 976244) is 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide is CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is VAONPNHJEWTOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-14-6-5-13(11-15(14)23-4-2)17(21)19-9-7-12(8-10-19)16(18)20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,18,20).
What are the key properties of 1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide?
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.82, 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)piperidine-4-carboxamide is sourced from PubChem (CID 976244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).