1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid

C15H20N2O3 — CID 106742731

IUPAC1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)CC2C)ccc1C(N)=O
InChIInChI=1S/C15H20N2O3/c1-9-7-12(3-4-13(9)14(16)18)17-6-5-11(15(19)20)8-10(17)2/h3-4,7,10-11H,5-6,8H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyPNESEZPYMHJMSO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid

1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742731) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742731
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)CC2C)ccc1C(N)=O
InChIInChI=1S/C15H20N2O3/c1-9-7-12(3-4-13(9)14(16)18)17-6-5-11(15(19)20)8-10(17)2/h3-4,7,10-11H,5-6,8H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyPNESEZPYMHJMSO-UHFFFAOYSA-N
XLogP1.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599
2-methyl-4-(3-methylpiperazin-1-yl)benzamide
CID 81279360
1-(4-ethylsulfonylphenyl)-2-methylpiperidine-4-carboxylic acid
CID 106742703
1-(6-carbamoyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742498
2-chloro-4-(2,4-dimethylpiperidin-1-yl)benzoic acid
CID 62946232
1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 81274508
1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
CID 107275312
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549960
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
2-chloro-4-(2,4-dimethylpiperidin-1-yl)benzenecarbothioamide
CID 62948645

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid (CID 106742731) is 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid is Cc1cc(N2CCC(C(=O)O)CC2C)ccc1C(N)=O.
What is the InChIKey of 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is PNESEZPYMHJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-7-12(3-4-13(9)14(16)18)17-6-5-11(15(19)20)8-10(17)2/h3-4,7,10-11H,5-6,8H2,1-2H3,(H2,16,18)(H,19,20).
What are the key properties of 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid?
1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).