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

C13H14Cl2N2O3 — CID 61183509

IUPAC1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-8-4-5-10(9(15)7-8)16-13(20)17-6-2-1-3-11(17)12(18)19/h4-5,7,11H,1-3,6H2,(H,16,20)(H,18,19)
InChIKeySUGAWUJXJKVPHZ-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.46
Rot. Bonds2

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

1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 61183509) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID61183509
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-8-4-5-10(9(15)7-8)16-13(20)17-6-2-1-3-11(17)12(18)19/h4-5,7,11H,1-3,6H2,(H,16,20)(H,18,19)
InChIKeySUGAWUJXJKVPHZ-UHFFFAOYSA-N
XLogP3.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.46
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)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid (CID 61183509) is 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is SUGAWUJXJKVPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-4-5-10(9(15)7-8)16-13(20)17-6-2-1-3-11(17)12(18)19/h4-5,7,11H,1-3,6H2,(H,16,20)(H,18,19).
What are the key properties of 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61183509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).