2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone

C15H28IN2O- — CID 177001050

IUPAC2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)N2CCC([I-]C)CC2)CC1
InChIInChI=1S/C15H28IN2O/c1-3-13-4-8-17(9-5-13)12-15(19)18-10-6-14(16-2)7-11-18/h13-14H,3-12H2,1-2H3/q-1
InChIKeyKLVBKMWOGHIDNQ-UHFFFAOYSA-N
MW379.31 g/mol
LogP-1.18
Rot. Bonds4

About 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone

2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone (PubChem CID 177001050) has the molecular formula C15H28IN2O- and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone
PubChem CID177001050
Molecular FormulaC15H28IN2O-
Molecular Weight379.31 g/mol
Exact Mass379.13
IUPAC Name2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)N2CCC([I-]C)CC2)CC1
InChIInChI=1S/C15H28IN2O/c1-3-13-4-8-17(9-5-13)12-15(19)18-10-6-14(16-2)7-11-18/h13-14H,3-12H2,1-2H3/q-1
InChIKeyKLVBKMWOGHIDNQ-UHFFFAOYSA-N
XLogP-1.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
CID 67583660
ethane;1-(4-ethylpiperazin-1-yl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 162725519
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849774
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
CID 177010787
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone (CID 177001050) is 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone is CCC1CCN(CC(=O)N2CCC([I-]C)CC2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone?
The InChIKey is KLVBKMWOGHIDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28IN2O/c1-3-13-4-8-17(9-5-13)12-15(19)18-10-6-14(16-2)7-11-18/h13-14H,3-12H2,1-2H3/q-1.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone?
2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone has a molecular weight of 379.31 g/mol, XLogP of -1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone is sourced from PubChem (CID 177001050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).