N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

C16H20IN3O3 — CID 3480255

IUPACN-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
SMILESCC1CN(C2CCN(C(=O)Nc3ccccc3I)CC2)C(=O)O1
InChIInChI=1S/C16H20IN3O3/c1-11-10-20(16(22)23-11)12-6-8-19(9-7-12)15(21)18-14-5-3-2-4-13(14)17/h2-5,11-12H,6-10H2,1H3,(H,18,21)
InChIKeyFMSMLNWNAZPDDV-UHFFFAOYSA-N
MW429.26 g/mol
LogP3.13
Rot. Bonds2

About N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide (PubChem CID 3480255) has the molecular formula C16H20IN3O3 and a molecular weight of 429.26 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
PubChem CID3480255
Molecular FormulaC16H20IN3O3
Molecular Weight429.26 g/mol
Exact Mass429.05
IUPAC NameN-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
SMILESCC1CN(C2CCN(C(=O)Nc3ccccc3I)CC2)C(=O)O1
InChIInChI=1S/C16H20IN3O3/c1-11-10-20(16(22)23-11)12-6-8-19(9-7-12)15(21)18-14-5-3-2-4-13(14)17/h2-5,11-12H,6-10H2,1H3,(H,18,21)
InChIKeyFMSMLNWNAZPDDV-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 53.13
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

(3R)-N-(2-iodophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165429772
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891
N-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 3841989
4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 5198504
3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3860372
3-[3-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3860324
5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 74228216
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
tert-butyl (2S)-4-[(2-iodophenyl)carbamoyl]-2-methylpiperazine-1-carboxylate
CID 165429761
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide (CID 3480255) is N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide is CC1CN(C2CCN(C(=O)Nc3ccccc3I)CC2)C(=O)O1.
What is the InChIKey of N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide?
The InChIKey is FMSMLNWNAZPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O3/c1-11-10-20(16(22)23-11)12-6-8-19(9-7-12)15(21)18-14-5-3-2-4-13(14)17/h2-5,11-12H,6-10H2,1H3,(H,18,21).
What are the key properties of N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide?
N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide has a molecular weight of 429.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3480255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).