iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate

C15H17IN2O4 — CID 146489185

IUPACiodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
SMILESCCC1(c2ccc(NC(=O)OCI)cc2)CCC(=O)NC1=O
InChIInChI=1S/C15H17IN2O4/c1-2-15(8-7-12(19)18-13(15)20)10-3-5-11(6-4-10)17-14(21)22-9-16/h3-6H,2,7-9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUHSOOLZEEBNHPN-UHFFFAOYSA-N
MW416.22 g/mol
LogP2.71
Rot. Bonds4

About iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate

iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate (PubChem CID 146489185) has the molecular formula C15H17IN2O4 and a molecular weight of 416.22 g/mol. Its IUPAC name is iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Nameiodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
PubChem CID146489185
Molecular FormulaC15H17IN2O4
Molecular Weight416.22 g/mol
Exact Mass416.02
IUPAC Nameiodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
SMILESCCC1(c2ccc(NC(=O)OCI)cc2)CCC(=O)NC1=O
InChIInChI=1S/C15H17IN2O4/c1-2-15(8-7-12(19)18-13(15)20)10-3-5-11(6-4-10)17-14(21)22-9-16/h3-6H,2,7-9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUHSOOLZEEBNHPN-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate?
The IUPAC name of iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate (CID 146489185) is iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate.
What is the SMILES notation for iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate?
The canonical SMILES for iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate is CCC1(c2ccc(NC(=O)OCI)cc2)CCC(=O)NC1=O.
What is the InChIKey of iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate?
The InChIKey is UHSOOLZEEBNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O4/c1-2-15(8-7-12(19)18-13(15)20)10-3-5-11(6-4-10)17-14(21)22-9-16/h3-6H,2,7-9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate?
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate has a molecular weight of 416.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate is sourced from PubChem (CID 146489185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).