N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide

C13H24N2O3 — CID 55119756

IUPACN-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide
SMILESCN(CCC1CCCCN1)C(=O)C1COCCO1
InChIInChI=1S/C13H24N2O3/c1-15(7-5-11-4-2-3-6-14-11)13(16)12-10-17-8-9-18-12/h11-12,14H,2-10H2,1H3
InChIKeyIAKGYPQEJSLBBJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds4

About N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide

N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide (PubChem CID 55119756) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide
PubChem CID55119756
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide
SMILESCN(CCC1CCCCN1)C(=O)C1COCCO1
InChIInChI=1S/C13H24N2O3/c1-15(7-5-11-4-2-3-6-14-11)13(16)12-10-17-8-9-18-12/h11-12,14H,2-10H2,1H3
InChIKeyIAKGYPQEJSLBBJ-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43187174
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
N-methyl-N-(piperidin-4-ylmethyl)-1,4-dioxane-2-carboxamide
CID 79721400
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-2-carboxamide
CID 115159827
N-methyl-N-(2-piperidin-2-ylethyl)oxan-4-amine
CID 43611270
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 115760131
(2R)-2-[2-(1,3-dioxolan-2-yl)ethyl]piperidine
CID 10559432
1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
CID 107138340
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide (CID 55119756) is N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide is CN(CCC1CCCCN1)C(=O)C1COCCO1.
What is the InChIKey of N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide?
The InChIKey is IAKGYPQEJSLBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-15(7-5-11-4-2-3-6-14-11)13(16)12-10-17-8-9-18-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide?
N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 55119756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).