5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid

C20H23N3O3 — CID 122103026

IUPAC5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2cccnc2)cc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C20H23N3O3/c1-13-8-17(19(24)25)12-23(11-13)20(26)22-18-9-15(6-5-14(18)2)16-4-3-7-21-10-16/h3-7,9-10,13,17H,8,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyOJYZJPPBMCQCOY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.63
Rot. Bonds3

About 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122103026) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122103026
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2cccnc2)cc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C20H23N3O3/c1-13-8-17(19(24)25)12-23(11-13)20(26)22-18-9-15(6-5-14(18)2)16-4-3-7-21-10-16/h3-7,9-10,13,17H,8,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyOJYZJPPBMCQCOY-UHFFFAOYSA-N
XLogP3.63
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103044
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
3-[4-(aminomethyl)triazol-1-yl]-N-(2-methyl-5-pyridin-3-ylphenyl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166364309
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092567
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102599
5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122103026) is 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is OJYZJPPBMCQCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-17(19(24)25)12-23(11-13)20(26)22-18-9-15(6-5-14(18)2)16-4-3-7-21-10-16/h3-7,9-10,13,17H,8,11-12H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122103026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).