ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate

C18H27N3O4 — CID 74235090

IUPACethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)c(CC)n(C)c2=O)CC1
InChIInChI=1S/C18H27N3O4/c1-5-15-12(3)11-14(17(23)20(15)4)16(22)19-13-7-9-21(10-8-13)18(24)25-6-2/h11,13H,5-10H2,1-4H3,(H,19,22)
InChIKeyMTBJEROURHLVNB-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.61
Rot. Bonds4

About ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 74235090) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID74235090
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)c(CC)n(C)c2=O)CC1
InChIInChI=1S/C18H27N3O4/c1-5-15-12(3)11-14(17(23)20(15)4)16(22)19-13-7-9-21(10-8-13)18(24)25-6-2/h11,13H,5-10H2,1-4H3,(H,19,22)
InChIKeyMTBJEROURHLVNB-UHFFFAOYSA-N
XLogP1.61
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate (CID 74235090) is ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(C)c(CC)n(C)c2=O)CC1.
What is the InChIKey of ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is MTBJEROURHLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-5-15-12(3)11-14(17(23)20(15)4)16(22)19-13-7-9-21(10-8-13)18(24)25-6-2/h11,13H,5-10H2,1-4H3,(H,19,22).
What are the key properties of ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 74235090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).