3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid

C15H20N4O2 — CID 63137397

IUPAC3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C15H20N4O2/c1-2-15(13(20)21)5-3-7-18(11-15)9-12-10-19-8-4-6-16-14(19)17-12/h4,6,8,10H,2-3,5,7,9,11H2,1H3,(H,20,21)
InChIKeyDNIQOCVLPAOEFL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds4

About 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid

3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 63137397) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID63137397
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C15H20N4O2/c1-2-15(13(20)21)5-3-7-18(11-15)9-12-10-19-8-4-6-16-14(19)17-12/h4,6,8,10H,2-3,5,7,9,11H2,1H3,(H,20,21)
InChIKeyDNIQOCVLPAOEFL-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63148611
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
3-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 64773302
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
3-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 115991110
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid
CID 62060125
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpiperidine-3-carboxylic acid
CID 113288983

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid (CID 63137397) is 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(Cc2cn3cccnc3n2)C1.
What is the InChIKey of 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is DNIQOCVLPAOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-15(13(20)21)5-3-7-18(11-15)9-12-10-19-8-4-6-16-14(19)17-12/h4,6,8,10H,2-3,5,7,9,11H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63137397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).