4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid

C20H20N4O3 — CID 72916751

IUPAC4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
SMILESCc1nc2ncccn2c1C(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C20H20N4O3/c1-13-17(24-11-3-9-21-20(24)22-13)18(25)23-10-2-4-16(12-23)14-5-7-15(8-6-14)19(26)27/h3,5-9,11,16H,2,4,10,12H2,1H3,(H,26,27)
InChIKeyUTDSCUBPHFFRMV-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.76
Rot. Bonds3

About 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid

4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid (PubChem CID 72916751) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
PubChem CID72916751
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
SMILESCc1nc2ncccn2c1C(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C20H20N4O3/c1-13-17(24-11-3-9-21-20(24)22-13)18(25)23-10-2-4-16(12-23)14-5-7-15(8-6-14)19(26)27/h3,5-9,11,16H,2,4,10,12H2,1H3,(H,26,27)
InChIKeyUTDSCUBPHFFRMV-UHFFFAOYSA-N
XLogP2.76
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 96576304
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608540
4-[1-(quinoline-8-carbonyl)piperidin-3-yl]benzoic acid
CID 72854481
4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72878672
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
4-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-3-yl]benzoic acid
CID 72841928
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95719344
4-[1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72904029
4-[1-(4-methylsulfonylbenzoyl)piperidin-3-yl]benzoic acid
CID 72934601
4-[(3R)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205329

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid (CID 72916751) is 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid is Cc1nc2ncccn2c1C(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid?
The InChIKey is UTDSCUBPHFFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-17(24-11-3-9-21-20(24)22-13)18(25)23-10-2-4-16(12-23)14-5-7-15(8-6-14)19(26)27/h3,5-9,11,16H,2,4,10,12H2,1H3,(H,26,27).
What are the key properties of 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid?
4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid has a molecular weight of 364.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72916751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).