1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide

C14H18N2O3 — CID 172640314

IUPAC1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide
SMILESCC1=C(C)C(=O)C(N2CCC(C(N)=O)CC2)=CC1=O
InChIInChI=1S/C14H18N2O3/c1-8-9(2)13(18)11(7-12(8)17)16-5-3-10(4-6-16)14(15)19/h7,10H,3-6H2,1-2H3,(H2,15,19)
InChIKeyGKPRVXJEEGVBLN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.56
Rot. Bonds2

About 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide

1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide (PubChem CID 172640314) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide
PubChem CID172640314
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide
SMILESCC1=C(C)C(=O)C(N2CCC(C(N)=O)CC2)=CC1=O
InChIInChI=1S/C14H18N2O3/c1-8-9(2)13(18)11(7-12(8)17)16-5-3-10(4-6-16)14(15)19/h7,10H,3-6H2,1-2H3,(H2,15,19)
InChIKeyGKPRVXJEEGVBLN-UHFFFAOYSA-N
XLogP0.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide (CID 172640314) is 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide is CC1=C(C)C(=O)C(N2CCC(C(N)=O)CC2)=CC1=O.
What is the InChIKey of 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide?
The InChIKey is GKPRVXJEEGVBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-9(2)13(18)11(7-12(8)17)16-5-3-10(4-6-16)14(15)19/h7,10H,3-6H2,1-2H3,(H2,15,19).
What are the key properties of 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide?
1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 172640314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).