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

C15H21N3O3 — CID 78920412

IUPACmethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nc(C)cc(C)c2C(N)=O)C1
InChIInChI=1S/C15H21N3O3/c1-9-7-10(2)17-14(12(9)13(16)19)18-6-4-5-11(8-18)15(20)21-3/h7,11H,4-6,8H2,1-3H3,(H2,16,19)
InChIKeyIOEFZQBNAGJFCD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.19
Rot. Bonds3

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

methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 78920412) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
PubChem CID78920412
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nc(C)cc(C)c2C(N)=O)C1
InChIInChI=1S/C15H21N3O3/c1-9-7-10(2)17-14(12(9)13(16)19)18-6-4-5-11(8-18)15(20)21-3/h7,11H,4-6,8H2,1-3H3,(H2,16,19)
InChIKeyIOEFZQBNAGJFCD-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
4,6-dimethyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 63249057
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 103534314
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 82994231
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate (CID 78920412) is methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2nc(C)cc(C)c2C(N)=O)C1.
What is the InChIKey of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is IOEFZQBNAGJFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-7-10(2)17-14(12(9)13(16)19)18-6-4-5-11(8-18)15(20)21-3/h7,11H,4-6,8H2,1-3H3,(H2,16,19).
What are the key properties of methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate?
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.19, 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-3-carboxylate is sourced from PubChem (CID 78920412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).