methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate

C15H21N3O3 — CID 115538265

IUPACmethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C15H21N3O3/c1-9-8-10(2)17-14(12(9)13(16)19)18-7-5-4-6-11(18)15(20)21-3/h8,11H,4-7H2,1-3H3,(H2,16,19)
InChIKeyYAXZKAGDCGEYKD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.33
Rot. Bonds3

About methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate

methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate (PubChem CID 115538265) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
PubChem CID115538265
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C15H21N3O3/c1-9-8-10(2)17-14(12(9)13(16)19)18-7-5-4-6-11(18)15(20)21-3/h8,11H,4-7H2,1-3H3,(H2,16,19)
InChIKeyYAXZKAGDCGEYKD-UHFFFAOYSA-N
XLogP1.33
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
2-[2-(2-aminoethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
CID 63767584
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
CID 63761971
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
4,6-dimethyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 63249057
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate (CID 115538265) is methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nc(C)cc(C)c1C(N)=O.
What is the InChIKey of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate?
The InChIKey is YAXZKAGDCGEYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-8-10(2)17-14(12(9)13(16)19)18-7-5-4-6-11(18)15(20)21-3/h8,11H,4-7H2,1-3H3,(H2,16,19).
What are the key properties of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate?
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 115538265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).