4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid

C19H21N3O3 — CID 72878672

IUPAC4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
SMILESCc1cc(C(=O)N2CCCC(c3ccc(C(=O)O)cc3)C2)nc(C)n1
InChIInChI=1S/C19H21N3O3/c1-12-10-17(21-13(2)20-12)18(23)22-9-3-4-16(11-22)14-5-7-15(8-6-14)19(24)25/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,24,25)
InChIKeyGGJCVZALAYRZTR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.81
Rot. Bonds3

About 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid

4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid (PubChem CID 72878672) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
PubChem CID72878672
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
SMILESCc1cc(C(=O)N2CCCC(c3ccc(C(=O)O)cc3)C2)nc(C)n1
InChIInChI=1S/C19H21N3O3/c1-12-10-17(21-13(2)20-12)18(23)22-9-3-4-16(11-22)14-5-7-15(8-6-14)19(24)25/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,24,25)
InChIKeyGGJCVZALAYRZTR-UHFFFAOYSA-N
XLogP2.81
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 25488367
4-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-3-yl]benzoic acid
CID 72841928
2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119073577
4-[1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72904029
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
4-[(3S)-1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97205451
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 96572355
4-[1-(4-methylsulfonylbenzoyl)piperidin-3-yl]benzoic acid
CID 72934601
4-[(3R)-1-(5-acetylthiophene-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97197017
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid (CID 72878672) is 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid is Cc1cc(C(=O)N2CCCC(c3ccc(C(=O)O)cc3)C2)nc(C)n1.
What is the InChIKey of 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid?
The InChIKey is GGJCVZALAYRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-10-17(21-13(2)20-12)18(23)22-9-3-4-16(11-22)14-5-7-15(8-6-14)19(24)25/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,24,25).
What are the key properties of 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid?
4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid has a molecular weight of 339.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72878672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).