methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate

C14H16INO4 — CID 104627850

IUPACmethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H16INO4/c1-20-14(19)11-4-2-3-7-16(11)13(18)9-5-6-10(15)12(17)8-9/h5-6,8,11,17H,2-4,7H2,1H3
InChIKeyASRSOHOOZJBOFH-UHFFFAOYSA-N
MW389.19 g/mol
LogP2.16
Rot. Bonds2

About methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate

methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate (PubChem CID 104627850) has the molecular formula C14H16INO4 and a molecular weight of 389.19 g/mol. Its IUPAC name is methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
PubChem CID104627850
Molecular FormulaC14H16INO4
Molecular Weight389.19 g/mol
Exact Mass389.01
IUPAC Namemethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H16INO4/c1-20-14(19)11-4-2-3-7-16(11)13(18)9-5-6-10(15)12(17)8-9/h5-6,8,11,17H,2-4,7H2,1H3
InChIKeyASRSOHOOZJBOFH-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2R)-1-(3-iodo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1226630
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate (CID 104627850) is methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate?
The InChIKey is ASRSOHOOZJBOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO4/c1-20-14(19)11-4-2-3-7-16(11)13(18)9-5-6-10(15)12(17)8-9/h5-6,8,11,17H,2-4,7H2,1H3.
What are the key properties of methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate?
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate has a molecular weight of 389.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 104627850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).