N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H20N2O3 — CID 63628034

IUPACN-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCC1CCCNC1)C1=COCCO1
InChIInChI=1S/C12H20N2O3/c15-12(11-9-16-6-7-17-11)14-5-3-10-2-1-4-13-8-10/h9-10,13H,1-8H2,(H,14,15)
InChIKeyPAHAOSHZMFXQOJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.38
Rot. Bonds4

About N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 63628034) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID63628034
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCC1CCCNC1)C1=COCCO1
InChIInChI=1S/C12H20N2O3/c15-12(11-9-16-6-7-17-11)14-5-3-10-2-1-4-13-8-10/h9-10,13H,1-8H2,(H,14,15)
InChIKeyPAHAOSHZMFXQOJ-UHFFFAOYSA-N
XLogP0.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 119558128
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 119557742
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
5-methyl-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119558239
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 63628034) is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCCC1CCCNC1)C1=COCCO1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is PAHAOSHZMFXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-12(11-9-16-6-7-17-11)14-5-3-10-2-1-4-13-8-10/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 63628034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).