4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid

C19H19ClN2O3 — CID 22240559

IUPAC4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cccnc1Cl)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-15(7-4-10-21-16)17(23)22-11-8-19(9-12-22,18(24)25)13-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,24,25)
InChIKeyRIBLNFBLWBTCLN-UHFFFAOYSA-N
MW358.82 g/mol
LogP3.28
Rot. Bonds4

About 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid

4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 22240559) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID22240559
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Name4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cccnc1Cl)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-15(7-4-10-21-16)17(23)22-11-8-19(9-12-22,18(24)25)13-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,24,25)
InChIKeyRIBLNFBLWBTCLN-UHFFFAOYSA-N
XLogP3.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid (CID 22240559) is 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid is O=C(c1cccnc1Cl)N1CCC(Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is RIBLNFBLWBTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-15(7-4-10-21-16)17(23)22-11-8-19(9-12-22,18(24)25)13-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,24,25).
What are the key properties of 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid?
4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 358.82 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22240559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).