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

C14H16Cl2N2O3 — CID 24748473

IUPAC1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(12(16)7-11)8-17-14(21)18-5-3-9(4-6-18)13(19)20/h1-2,7,9H,3-6,8H2,(H,17,21)(H,19,20)
InChIKeyYYEDYEHCUJGPOP-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.00
Rot. Bonds3

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

1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 24748473) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID24748473
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(12(16)7-11)8-17-14(21)18-5-3-9(4-6-18)13(19)20/h1-2,7,9H,3-6,8H2,(H,17,21)(H,19,20)
InChIKeyYYEDYEHCUJGPOP-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 24748473) is 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is YYEDYEHCUJGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(12(16)7-11)8-17-14(21)18-5-3-9(4-6-18)13(19)20/h1-2,7,9H,3-6,8H2,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 331.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 24748473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).