2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid

C12H18ClN3O2 — CID 84743174

IUPAC2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
SMILESCc1nc(Cl)c(C(C(=O)O)N2CCCCC2)n1C
InChIInChI=1S/C12H18ClN3O2/c1-8-14-11(13)9(15(8)2)10(12(17)18)16-6-4-3-5-7-16/h10H,3-7H2,1-2H3,(H,17,18)
InChIKeyPKOGOJAQFLXYMD-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.99
Rot. Bonds3

About 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid

2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid (PubChem CID 84743174) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
PubChem CID84743174
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
SMILESCc1nc(Cl)c(C(C(=O)O)N2CCCCC2)n1C
InChIInChI=1S/C12H18ClN3O2/c1-8-14-11(13)9(15(8)2)10(12(17)18)16-6-4-3-5-7-16/h10H,3-7H2,1-2H3,(H,17,18)
InChIKeyPKOGOJAQFLXYMD-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
CID 84741178
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 84745452
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 84744613
2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid
CID 82473039
2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84741549
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid (CID 84743174) is 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid is Cc1nc(Cl)c(C(C(=O)O)N2CCCCC2)n1C.
What is the InChIKey of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is PKOGOJAQFLXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8-14-11(13)9(15(8)2)10(12(17)18)16-6-4-3-5-7-16/h10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid?
2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 271.75 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 84743174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).