N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride

C12H23ClN2O3 — CID 119260227

IUPACN-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1COCCO1)C1CCCNC1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-9(10-3-2-4-13-7-10)14-12(15)11-8-16-5-6-17-11;/h9-11,13H,2-8H2,1H3,(H,14,15);1H
InChIKeyIEKZVNHYRCSBQA-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.33
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride

N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride (PubChem CID 119260227) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride
PubChem CID119260227
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC NameN-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1COCCO1)C1CCCNC1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-9(10-3-2-4-13-7-10)14-12(15)11-8-16-5-6-17-11;/h9-11,13H,2-8H2,1H3,(H,14,15);1H
InChIKeyIEKZVNHYRCSBQA-UHFFFAOYSA-N
XLogP0.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119260228
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N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
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N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
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N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119474149
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
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(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
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1-methyl-N-(1-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
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N-(2-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide
CID 62799919
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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride (CID 119260227) is N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride is CC(NC(=O)C1COCCO1)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride?
The InChIKey is IEKZVNHYRCSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-9(10-3-2-4-13-7-10)14-12(15)11-8-16-5-6-17-11;/h9-11,13H,2-8H2,1H3,(H,14,15);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride?
N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119260227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).