1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C19H28N2O3 — CID 122122726

IUPAC1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(CC(C)NC(=O)N2CC(C)CC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-12-5-6-16(14(3)7-12)9-15(4)20-19(24)21-10-13(2)8-17(11-21)18(22)23/h5-7,13,15,17H,8-11H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyQLEABZZJJNOMIA-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.99
Rot. Bonds4

About 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122726) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122726
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(CC(C)NC(=O)N2CC(C)CC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-12-5-6-16(14(3)7-12)9-15(4)20-19(24)21-10-13(2)8-17(11-21)18(22)23/h5-7,13,15,17H,8-11H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyQLEABZZJJNOMIA-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
2-[[1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122001465
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122122970
1-[[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124004
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-[(5-oxo-5-propan-2-yloxypentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123680
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122117300
1-[1-(2,5-difluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122890

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122726) is 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is Cc1ccc(CC(C)NC(=O)N2CC(C)CC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QLEABZZJJNOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12-5-6-16(14(3)7-12)9-15(4)20-19(24)21-10-13(2)8-17(11-21)18(22)23/h5-7,13,15,17H,8-11H2,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).