1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide

C21H22IN3O3 — CID 60544520

IUPAC1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1I
InChIInChI=1S/C21H22IN3O3/c1-13-5-4-7-16(18(13)22)20(27)24-17-8-3-2-6-15(17)21(28)25-11-9-14(10-12-25)19(23)26/h2-8,14H,9-12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyXQXWRKYNMDBDNI-UHFFFAOYSA-N
MW491.33 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide

1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide (PubChem CID 60544520) has the molecular formula C21H22IN3O3 and a molecular weight of 491.33 g/mol. Its IUPAC name is 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
PubChem CID60544520
Molecular FormulaC21H22IN3O3
Molecular Weight491.33 g/mol
Exact Mass491.07
IUPAC Name1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1I
InChIInChI=1S/C21H22IN3O3/c1-13-5-4-7-16(18(13)22)20(27)24-17-8-3-2-6-15(17)21(28)25-11-9-14(10-12-25)19(23)26/h2-8,14H,9-12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyXQXWRKYNMDBDNI-UHFFFAOYSA-N
XLogP3.19
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55934245
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544490
1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55642415
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
CID 119718652
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55932978
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide (CID 60544520) is 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1I.
What is the InChIKey of 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is XQXWRKYNMDBDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22IN3O3/c1-13-5-4-7-16(18(13)22)20(27)24-17-8-3-2-6-15(17)21(28)25-11-9-14(10-12-25)19(23)26/h2-8,14H,9-12H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 491.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 60544520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).