5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid

C18H23N3O2 — CID 122125379

IUPAC5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1ncc(CN2CC(C)CC(C(=O)O)C2)n1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13-8-15(18(22)23)11-20(10-13)12-17-9-19-14(2)21(17)16-6-4-3-5-7-16/h3-7,9,13,15H,8,10-12H2,1-2H3,(H,22,23)
InChIKeyQUHBHEHTEYVNOJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.72
Rot. Bonds4

About 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 122125379) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID122125379
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1ncc(CN2CC(C)CC(C(=O)O)C2)n1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13-8-15(18(22)23)11-20(10-13)12-17-9-19-14(2)21(17)16-6-4-3-5-7-16/h3-7,9,13,15H,8,10-12H2,1-2H3,(H,22,23)
InChIKeyQUHBHEHTEYVNOJ-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
CID 126816677
1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
CID 75438529
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
5-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122125506
1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125103
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
1-[(3,4-dibromophenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125340
1-[(1,3-dioxoisoindol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 131197879
5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122120995
5-methyl-1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121188
1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125443

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 122125379) is 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid is Cc1ncc(CN2CC(C)CC(C(=O)O)C2)n1-c1ccccc1.
What is the InChIKey of 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is QUHBHEHTEYVNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-8-15(18(22)23)11-20(10-13)12-17-9-19-14(2)21(17)16-6-4-3-5-7-16/h3-7,9,13,15H,8,10-12H2,1-2H3,(H,22,23).
What are the key properties of 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122125379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).