4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid

C15H20N4O2 — CID 114430831

IUPAC4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cn3cccnc3n2)C(C(=O)O)C1
InChIInChI=1S/C15H20N4O2/c1-2-11-4-7-18(13(8-11)14(20)21)9-12-10-19-6-3-5-16-15(19)17-12/h3,5-6,10-11,13H,2,4,7-9H2,1H3,(H,20,21)
InChIKeyWQQZVANLTSFGNQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.80
Rot. Bonds4

About 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid

4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 114430831) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID114430831
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cn3cccnc3n2)C(C(=O)O)C1
InChIInChI=1S/C15H20N4O2/c1-2-11-4-7-18(13(8-11)14(20)21)9-12-10-19-6-3-5-16-15(19)17-12/h3,5-6,10-11,13H,2,4,7-9H2,1H3,(H,20,21)
InChIKeyWQQZVANLTSFGNQ-UHFFFAOYSA-N
XLogP1.80
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426395
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895144
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 114431472
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431052
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 120966664
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid (CID 114430831) is 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid is CCC1CCN(Cc2cn3cccnc3n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is WQQZVANLTSFGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-11-4-7-18(13(8-11)14(20)21)9-12-10-19-6-3-5-16-15(19)17-12/h3,5-6,10-11,13H,2,4,7-9H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid?
4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114430831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).