(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid

C15H19NO3 — CID 122114653

IUPAC(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c1
InChIInChI=1S/C15H19NO3/c1-10-5-3-6-12(9-10)14(17)16-8-4-7-13(11(16)2)15(18)19/h3,5-6,9,11,13H,4,7-8H2,1-2H3,(H,18,19)/t11-,13-/m1/s1
InChIKeyMGPNAIUXLXXZDL-DGCLKSJQSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds2

About (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 122114653) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
PubChem CID122114653
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c1
InChIInChI=1S/C15H19NO3/c1-10-5-3-6-12(9-10)14(17)16-8-4-7-13(11(16)2)15(18)19/h3,5-6,9,11,13H,4,7-8H2,1-2H3,(H,18,19)/t11-,13-/m1/s1
InChIKeyMGPNAIUXLXXZDL-DGCLKSJQSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
(2S,3S)-1-[3-(2-methoxy-2-oxoethoxy)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116551
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(2R,3R)-1-[3-[(4-fluorobenzoyl)amino]benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115413
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(2S,3S)-1-[3-(2-ethoxyphenyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116816
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
(2S,3S)-1-(4-methoxy-3,5-dimethylbenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116519
(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115249
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid (CID 122114653) is (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid is Cc1cccc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c1.
What is the InChIKey of (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is MGPNAIUXLXXZDL-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-3-6-12(9-10)14(17)16-8-4-7-13(11(16)2)15(18)19/h3,5-6,9,11,13H,4,7-8H2,1-2H3,(H,18,19)/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122114653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).