(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid

C19H21N3O3 — CID 95216578

IUPAC(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid
SMILESCc1nccc(-c2ccccc2)c1C(=O)N1CCN(C)[C@@H](C(=O)O)C1
InChIInChI=1S/C19H21N3O3/c1-13-17(15(8-9-20-13)14-6-4-3-5-7-14)18(23)22-11-10-21(2)16(12-22)19(24)25/h3-9,16H,10-12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyKQXBGQVKSLCKAD-MRXNPFEDSA-N
MW339.39 g/mol
LogP1.90
Rot. Bonds3

About (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid

(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid (PubChem CID 95216578) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid
PubChem CID95216578
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid
SMILESCc1nccc(-c2ccccc2)c1C(=O)N1CCN(C)[C@@H](C(=O)O)C1
InChIInChI=1S/C19H21N3O3/c1-13-17(15(8-9-20-13)14-6-4-3-5-7-14)18(23)22-11-10-21(2)16(12-22)19(24)25/h3-9,16H,10-12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyKQXBGQVKSLCKAD-MRXNPFEDSA-N
XLogP1.90
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic 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

[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
[(3aS,5S,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 56918819
[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 77089806
(2S)-4-[2-(1H-imidazol-2-yl)benzoyl]-1-methylpiperazine-2-carboxylic acid
CID 95206001
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 164693666
[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 162632603
(2-methyl-4-phenyl-3-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419354
[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 154564374
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 77086895
(4aR,6S,8aR)-4-(2-methyl-4-phenylpyridine-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
CID 156583729
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide
CID 133265545
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 56705242

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid (CID 95216578) is (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid is Cc1nccc(-c2ccccc2)c1C(=O)N1CCN(C)[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is KQXBGQVKSLCKAD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-17(15(8-9-20-13)14-6-4-3-5-7-14)18(23)22-11-10-21(2)16(12-22)19(24)25/h3-9,16H,10-12H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid?
(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 95216578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).