1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide

C19H18IN3O2 — CID 16590448

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1I)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H18IN3O2/c20-14-5-1-2-6-15(14)21-18(24)13-9-11-23(12-10-13)19-22-16-7-3-4-8-17(16)25-19/h1-8,13H,9-12H2,(H,21,24)
InChIKeyKXJDRWRWWTUAGZ-UHFFFAOYSA-N
MW447.28 g/mol
LogP4.29
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide (PubChem CID 16590448) has the molecular formula C19H18IN3O2 and a molecular weight of 447.28 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
PubChem CID16590448
Molecular FormulaC19H18IN3O2
Molecular Weight447.28 g/mol
Exact Mass447.04
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1I)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H18IN3O2/c20-14-5-1-2-6-15(14)21-18(24)13-9-11-23(12-10-13)19-22-16-7-3-4-8-17(16)25-19/h1-8,13H,9-12H2,(H,21,24)
InChIKeyKXJDRWRWWTUAGZ-UHFFFAOYSA-N
XLogP4.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 60576710
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30884800
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide (CID 16590448) is 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1I)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide?
The InChIKey is KXJDRWRWWTUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O2/c20-14-5-1-2-6-15(14)21-18(24)13-9-11-23(12-10-13)19-22-16-7-3-4-8-17(16)25-19/h1-8,13H,9-12H2,(H,21,24).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide has a molecular weight of 447.28 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16590448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).