methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate

C14H21N3O3 — CID 115535701

IUPACmethyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3O3/c1-9-12(10(2)16(3)15-9)13(18)17-8-6-5-7-11(17)14(19)20-4/h11H,5-8H2,1-4H3
InChIKeyREBTUKZYZJTSML-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.20
Rot. Bonds2

About methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate

methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate (PubChem CID 115535701) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
PubChem CID115535701
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3O3/c1-9-12(10(2)16(3)15-9)13(18)17-8-6-5-7-11(17)14(19)20-4/h11H,5-8H2,1-4H3
InChIKeyREBTUKZYZJTSML-UHFFFAOYSA-N
XLogP1.20
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)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-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
CID 115535693
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097
methyl 1-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 43410279
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115316280
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
methyl (2S)-1-(3-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 139728189
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate
CID 43623810
[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 125142071

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate (CID 115535701) is methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate?
The InChIKey is REBTUKZYZJTSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-12(10(2)16(3)15-9)13(18)17-8-6-5-7-11(17)14(19)20-4/h11H,5-8H2,1-4H3.
What are the key properties of methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate?
methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 115535701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).