1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C15H19ClN2O3 — CID 104597878

IUPAC1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCCC2(C)C(=O)O)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-5-6-12(11(16)9-10)17-14(21)18-8-4-3-7-15(18,2)13(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXEWYNQQNFBDVTI-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.51
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597878) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597878
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCCC2(C)C(=O)O)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-5-6-12(11(16)9-10)17-14(21)18-8-4-3-7-15(18,2)13(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXEWYNQQNFBDVTI-UHFFFAOYSA-N
XLogP3.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597878) is 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is Cc1ccc(NC(=O)N2CCCCC2(C)C(=O)O)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is XEWYNQQNFBDVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-5-6-12(11(16)9-10)17-14(21)18-8-4-3-7-15(18,2)13(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).