N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide

C14H19N3O3 — CID 1474775

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H19N3O3/c1-16-4-6-17(7-5-16)14(18)15-11-2-3-12-13(10-11)20-9-8-19-12/h2-3,10H,4-9H2,1H3,(H,15,18)
InChIKeyUEAVEFQRMXVHJL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.24
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 1474775) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide
PubChem CID1474775
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H19N3O3/c1-16-4-6-17(7-5-16)14(18)15-11-2-3-12-13(10-11)20-9-8-19-12/h2-3,10H,4-9H2,1H3,(H,15,18)
InChIKeyUEAVEFQRMXVHJL-UHFFFAOYSA-N
XLogP1.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide (CID 1474775) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is UEAVEFQRMXVHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-4-6-17(7-5-16)14(18)15-11-2-3-12-13(10-11)20-9-8-19-12/h2-3,10H,4-9H2,1H3,(H,15,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 1474775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).