N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide

C17H32N2O2 — CID 83036475

IUPACN-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2(CC)CCCNC2)CCO1
InChIInChI=1S/C17H32N2O2/c1-4-16(9-7-10-18-13-16)15(20)19-14-8-11-21-17(5-2,6-3)12-14/h14,18H,4-13H2,1-3H3,(H,19,20)
InChIKeyREDQMXBUJIJLBJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.62
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide

N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide (PubChem CID 83036475) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide
PubChem CID83036475
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2(CC)CCCNC2)CCO1
InChIInChI=1S/C17H32N2O2/c1-4-16(9-7-10-18-13-16)15(20)19-14-8-11-21-17(5-2,6-3)12-14/h14,18H,4-13H2,1-3H3,(H,19,20)
InChIKeyREDQMXBUJIJLBJ-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
3-ethyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 63135196
3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
CID 63361296
(2R)-N-(2,2-diethyloxan-4-yl)pyrrolidine-2-carboxamide
CID 104901402
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 83035026
3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
CID 103287680
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
CID 115865884
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418
3-ethyl-N-(3-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 55166675

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide (CID 83036475) is N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide is CCC1(CC)CC(NC(=O)C2(CC)CCCNC2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is REDQMXBUJIJLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-16(9-7-10-18-13-16)15(20)19-14-8-11-21-17(5-2,6-3)12-14/h14,18H,4-13H2,1-3H3,(H,19,20).
What are the key properties of N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide?
N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 83036475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).