ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate

C15H20IN3O3 — CID 5146893

IUPACethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C15H20IN3O3/c1-2-22-15(21)19-8-6-12(7-9-19)17-14(20)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyCUOUGJRTMPYHKH-UHFFFAOYSA-N
MW417.25 g/mol
LogP3.03
Rot. Bonds3

About ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 5146893) has the molecular formula C15H20IN3O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID5146893
Molecular FormulaC15H20IN3O3
Molecular Weight417.25 g/mol
Exact Mass417.05
IUPAC Nameethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C15H20IN3O3/c1-2-22-15(21)19-8-6-12(7-9-19)17-14(20)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyCUOUGJRTMPYHKH-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 53.03
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

ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
ethyl 4-[2-(3-iodoanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932278
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-[(4-oxochromen-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 72861714

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate (CID 5146893) is ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2cccc(I)c2)CC1.
What is the InChIKey of ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is CUOUGJRTMPYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O3/c1-2-22-15(21)19-8-6-12(7-9-19)17-14(20)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,20).
What are the key properties of ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 417.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 5146893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).