3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid

C12H17N3O3 — CID 114278485

IUPAC3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)c2cn(C)cn2)CCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8-5-15(4-3-9(8)12(17)18)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyFTFUPXNSGIHRCI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.60
Rot. Bonds2

About 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid

3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 114278485) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID114278485
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)c2cn(C)cn2)CCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8-5-15(4-3-9(8)12(17)18)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyFTFUPXNSGIHRCI-UHFFFAOYSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid 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

(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 114022412
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 107498657
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98895616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid (CID 114278485) is 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid is CC1CN(C(=O)c2cn(C)cn2)CCC1C(=O)O.
What is the InChIKey of 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FTFUPXNSGIHRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-15(4-3-9(8)12(17)18)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 114278485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).