3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid

C13H15IN2O3 — CID 69078497

IUPAC3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
SMILESO=C(NC1CCCN(C(=O)O)C1)c1ccc(I)cc1
InChIInChI=1S/C13H15IN2O3/c14-10-5-3-9(4-6-10)12(17)15-11-2-1-7-16(8-11)13(18)19/h3-6,11H,1-2,7-8H2,(H,15,17)(H,18,19)
InChIKeyYEJQQQPTFXROQS-UHFFFAOYSA-N
MW374.18 g/mol
LogP2.16
Rot. Bonds2

About 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid

3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid (PubChem CID 69078497) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
PubChem CID69078497
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
SMILESO=C(NC1CCCN(C(=O)O)C1)c1ccc(I)cc1
InChIInChI=1S/C13H15IN2O3/c14-10-5-3-9(4-6-10)12(17)15-11-2-1-7-16(8-11)13(18)19/h3-6,11H,1-2,7-8H2,(H,15,17)(H,18,19)
InChIKeyYEJQQQPTFXROQS-UHFFFAOYSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid
CID 174219414
4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 68593380
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174193075
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid (CID 69078497) is 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid is O=C(NC1CCCN(C(=O)O)C1)c1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid?
The InChIKey is YEJQQQPTFXROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c14-10-5-3-9(4-6-10)12(17)15-11-2-1-7-16(8-11)13(18)19/h3-6,11H,1-2,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid?
3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid has a molecular weight of 374.18 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 69078497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).