4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid

C14H17N5O3 — CID 70712775

IUPAC4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2ccnc2)CC1
InChIInChI=1S/C14H17N5O3/c1-22-12-11(16-4-5-17-12)18-7-2-14(3-8-18,13(20)21)19-9-6-15-10-19/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,21)
InChIKeyDFEHXROCKMKRAJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.76
Rot. Bonds4

About 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid

4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid (PubChem CID 70712775) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
PubChem CID70712775
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2ccnc2)CC1
InChIInChI=1S/C14H17N5O3/c1-22-12-11(16-4-5-17-12)18-7-2-14(3-8-18,13(20)21)19-9-6-15-10-19/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,21)
InChIKeyDFEHXROCKMKRAJ-UHFFFAOYSA-N
XLogP0.76
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)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

1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
1-(2-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 70784403
4-imidazol-1-yloxane-4-carboxylic acid
CID 82235125
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56889081
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
(3R)-3-(2-methoxyethyl)-1-(3-methoxypyrazin-2-yl)piperidine-3-carboxylic acid
CID 97128634
(3R,4S)-4-benzyl-3-hydroxy-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
CID 166620081
6-imidazol-1-yl-1-methoxy-5,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 166265102
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
CID 95872164
1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
4-imidazol-1-yl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 70785887

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid (CID 70712775) is 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid is COc1nccnc1N1CCC(C(=O)O)(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is DFEHXROCKMKRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-22-12-11(16-4-5-17-12)18-7-2-14(3-8-18,13(20)21)19-9-6-15-10-19/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,21).
What are the key properties of 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70712775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).