tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide

C16H25IN2O5 — CID 174970058

IUPACtert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide
SMILESCC(C)(C)OC=O.O=CN(CC1(O)CCNCC1)c1ccoc1I
InChIInChI=1S/C11H15IN2O3.C5H10O2/c12-10-9(1-6-17-10)14(8-15)7-11(16)2-4-13-5-3-11;1-5(2,3)7-4-6/h1,6,8,13,16H,2-5,7H2;4H,1-3H3
InChIKeyRONPNHPNFCEFLK-UHFFFAOYSA-N
MW452.29 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide

tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide (PubChem CID 174970058) has the molecular formula C16H25IN2O5 and a molecular weight of 452.29 g/mol. Its IUPAC name is tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide.

Molecular Properties

Compound Nametert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide
PubChem CID174970058
Molecular FormulaC16H25IN2O5
Molecular Weight452.29 g/mol
Exact Mass452.08
IUPAC Nametert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide
SMILESCC(C)(C)OC=O.O=CN(CC1(O)CCNCC1)c1ccoc1I
InChIInChI=1S/C11H15IN2O3.C5H10O2/c12-10-9(1-6-17-10)14(8-15)7-11(16)2-4-13-5-3-11;1-5(2,3)7-4-6/h1,6,8,13,16H,2-5,7H2;4H,1-3H3
InChIKeyRONPNHPNFCEFLK-UHFFFAOYSA-N
XLogP1.92
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
CID 174761865
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl formate;4-(trifluoromethyl)piperidin-4-ol
CID 174428984
(4-aminopiperidin-4-yl)methanol;tert-butyl formate
CID 174950700
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;4,4-difluoropiperidine
CID 174784442
(4-benzylpiperidin-4-yl)methanol;tert-butyl formate
CID 174826252
tert-butyl formate;4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
CID 174526882
3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
CID 174792112
tert-butyl formate;4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 174513331
[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174970057
tert-butyl formate;2-(4-methylpiperidin-4-yl)acetonitrile
CID 158247300
4-[(dipropylamino)methyl]piperidin-4-ol
CID 62221851

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide?
The IUPAC name of tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide (CID 174970058) is tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide.
What is the SMILES notation for tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide?
The canonical SMILES for tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide is CC(C)(C)OC=O.O=CN(CC1(O)CCNCC1)c1ccoc1I.
What is the InChIKey of tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide?
The InChIKey is RONPNHPNFCEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O3.C5H10O2/c12-10-9(1-6-17-10)14(8-15)7-11(16)2-4-13-5-3-11;1-5(2,3)7-4-6/h1,6,8,13,16H,2-5,7H2;4H,1-3H3.
What are the key properties of tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide?
tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide has a molecular weight of 452.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-[(4-hydroxypiperidin-4-yl)methyl]-N-(2-iodofuran-3-yl)formamide is sourced from PubChem (CID 174970058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).