1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide

C16H22N2O4 — CID 110763601

IUPAC1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C)c(C(=O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-10-8-13(21-2)14(22-3)9-12(10)16(20)18-6-4-11(5-7-18)15(17)19/h8-9,11H,4-7H2,1-3H3,(H2,17,19)
InChIKeyNNXQCZZOFXACHJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.35
Rot. Bonds4

About 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide

1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 110763601) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID110763601
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C)c(C(=O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-10-8-13(21-2)14(22-3)9-12(10)16(20)18-6-4-11(5-7-18)15(17)19/h8-9,11H,4-7H2,1-3H3,(H2,17,19)
InChIKeyNNXQCZZOFXACHJ-UHFFFAOYSA-N
XLogP1.35
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028
1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide
CID 30148326
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-[4-(4,5-dimethoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805556
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 32978677
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide (CID 110763601) is 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide is COc1cc(C)c(C(=O)N2CCC(C(N)=O)CC2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is NNXQCZZOFXACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-8-13(21-2)14(22-3)9-12(10)16(20)18-6-4-11(5-7-18)15(17)19/h8-9,11H,4-7H2,1-3H3,(H2,17,19).
What are the key properties of 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide?
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 110763601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).