5-iodo-2-(piperidine-1-carbonylamino)benzoic acid

C13H15IN2O3 — CID 55179038

IUPAC5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(I)ccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H15IN2O3/c14-9-4-5-11(10(8-9)12(17)18)15-13(19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,19)(H,17,18)
InChIKeyRLZRVQLETYIETA-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.01
Rot. Bonds2

About 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid

5-iodo-2-(piperidine-1-carbonylamino)benzoic acid (PubChem CID 55179038) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
PubChem CID55179038
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(I)ccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H15IN2O3/c14-9-4-5-11(10(8-9)12(17)18)15-13(19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,19)(H,17,18)
InChIKeyRLZRVQLETYIETA-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

5-iodo-2-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63111649
5-iodo-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 63112031
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-5-iodobenzoic acid
CID 63111639
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 114679601
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
4,5-difluoro-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 62865922
2-(azocane-1-carbonylamino)-4-fluorobenzoic acid
CID 61200169
2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 63111965

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid?
The IUPAC name of 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid (CID 55179038) is 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid is O=C(O)c1cc(I)ccc1NC(=O)N1CCCCC1.
What is the InChIKey of 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid?
The InChIKey is RLZRVQLETYIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c14-9-4-5-11(10(8-9)12(17)18)15-13(19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,19)(H,17,18).
What are the key properties of 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid?
5-iodo-2-(piperidine-1-carbonylamino)benzoic acid has a molecular weight of 374.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(piperidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 55179038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).