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

C11H15N3O3 — CID 107971610

IUPAC(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCn1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C11H15N3O3/c1-13-6-9(12-7-13)10(15)14-4-2-3-8(5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyZVUWAZBUQJOYQM-QMMMGPOBSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds2

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

(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 107971610) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID107971610
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCn1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C11H15N3O3/c1-13-6-9(12-7-13)10(15)14-4-2-3-8(5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyZVUWAZBUQJOYQM-QMMMGPOBSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-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

ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
1-(1-methyl-4-nitropyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 120684305
(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone
CID 124614457

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid (CID 107971610) is (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid is Cn1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)c1.
What is the InChIKey of (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ZVUWAZBUQJOYQM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-6-9(12-7-13)10(15)14-4-2-3-8(5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107971610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).