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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Related Compounds

4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 22240981
1-benzylcyclopropane-1-carboxylic acid
CID 562561
4-benzyl-8-(2-chloropyridine-3-carbonyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 87293769
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 22240872
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812646
[4-[(3-chloropyrazin-2-yl)methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385786
(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
CID 150421157

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).