[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate

C15H28INO4 — CID 70164485

IUPAC[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate
SMILESCOCOCCCC(CI)C1CN(C)CCC1OC(C)=O
InChIInChI=1S/C15H28INO4/c1-12(18)21-15-6-7-17(2)10-14(15)13(9-16)5-4-8-20-11-19-3/h13-15H,4-11H2,1-3H3
InChIKeyRMSHRXWMHQIYNM-UHFFFAOYSA-N
MW413.30 g/mol
LogP2.32
Rot. Bonds9

About [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate

[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate (PubChem CID 70164485) has the molecular formula C15H28INO4 and a molecular weight of 413.30 g/mol. Its IUPAC name is [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate
PubChem CID70164485
Molecular FormulaC15H28INO4
Molecular Weight413.30 g/mol
Exact Mass413.11
IUPAC Name[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate
SMILESCOCOCCCC(CI)C1CN(C)CCC1OC(C)=O
InChIInChI=1S/C15H28INO4/c1-12(18)21-15-6-7-17(2)10-14(15)13(9-16)5-4-8-20-11-19-3/h13-15H,4-11H2,1-3H3
InChIKeyRMSHRXWMHQIYNM-UHFFFAOYSA-N
XLogP2.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate
CID 70008509
[3-[5-(123I)iodo-1-(methoxymethoxy)pent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 91226870
CID 59971181
CID 59971181
[3-(1-acetyloxy-5-iodopent-4-enyl)-1-methylpiperidin-4-yl] acetate
CID 73455964
(1,3-dimethylpiperidin-4-yl) acetate
CID 20696711
[(3R,4S)-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl] acetate
CID 168903053
2-amino-5-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 81089103
acetic acid;1-methylpyrrolidine-3-thiol
CID 88601172
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355
1-azabicyclo[3.2.2]nonan-4-yl acetate
CID 118254768
ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 81082304

Frequently Asked Questions

What is the IUPAC name of [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate?
The IUPAC name of [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate (CID 70164485) is [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate.
What is the SMILES notation for [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate?
The canonical SMILES for [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate is COCOCCCC(CI)C1CN(C)CCC1OC(C)=O.
What is the InChIKey of [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate?
The InChIKey is RMSHRXWMHQIYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28INO4/c1-12(18)21-15-6-7-17(2)10-14(15)13(9-16)5-4-8-20-11-19-3/h13-15H,4-11H2,1-3H3.
What are the key properties of [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate?
[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate has a molecular weight of 413.30 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate is sourced from PubChem (CID 70164485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).