N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide

C19H26IN3O3 — CID 3445891

IUPACN-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C19H26IN3O3/c1-13(2)11-15-12-26-19(25)23(15)14-7-9-22(10-8-14)18(24)21-17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3,(H,21,24)
InChIKeyQYMMYAJBWWDJQK-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.15
Rot. Bonds4

About N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide

N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide (PubChem CID 3445891) has the molecular formula C19H26IN3O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
PubChem CID3445891
Molecular FormulaC19H26IN3O3
Molecular Weight471.34 g/mol
Exact Mass471.10
IUPAC NameN-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C19H26IN3O3/c1-13(2)11-15-12-26-19(25)23(15)14-7-9-22(10-8-14)18(24)21-17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3,(H,21,24)
InChIKeyQYMMYAJBWWDJQK-UHFFFAOYSA-N
XLogP4.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3480255
methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate
CID 3853279
3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3417317
3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3523328
ethyl 3-[1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3811122
N-(5-chloro-2-methoxyphenyl)-4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3850323
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3643779
4-(2-methylpropyl)-3-[1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3591664
N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
(3R)-N-(2-iodophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165429772
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3869172
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide (CID 3445891) is N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide is CC(C)CC1COC(=O)N1C1CCN(C(=O)Nc2ccccc2I)CC1.
What is the InChIKey of N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is QYMMYAJBWWDJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26IN3O3/c1-13(2)11-15-12-26-19(25)23(15)14-7-9-22(10-8-14)18(24)21-17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 3445891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).