4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid

C15H16Cl2N2O4 — CID 90169796

IUPAC4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid
SMILESO=CCN(C(=O)C1CCN(C(=O)O)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O4/c16-11-1-2-13(12(17)9-11)19(7-8-20)14(21)10-3-5-18(6-4-10)15(22)23/h1-2,8-10H,3-7H2,(H,22,23)
InChIKeyCOVIAJNRNNJDOW-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.92
Rot. Bonds4

About 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid

4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid (PubChem CID 90169796) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid
PubChem CID90169796
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid
SMILESO=CCN(C(=O)C1CCN(C(=O)O)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O4/c16-11-1-2-13(12(17)9-11)19(7-8-20)14(21)10-3-5-18(6-4-10)15(22)23/h1-2,8-10H,3-7H2,(H,22,23)
InChIKeyCOVIAJNRNNJDOW-UHFFFAOYSA-N
XLogP2.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid (CID 90169796) is 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid is O=CCN(C(=O)C1CCN(C(=O)O)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is COVIAJNRNNJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c16-11-1-2-13(12(17)9-11)19(7-8-20)14(21)10-3-5-18(6-4-10)15(22)23/h1-2,8-10H,3-7H2,(H,22,23).
What are the key properties of 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid?
4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 359.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)-(2-oxoethyl)carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90169796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).