2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide

C14H19N3O3 — CID 862174

IUPAC2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19N3O3/c15-14(18)9-17-5-3-16(4-6-17)8-11-1-2-12-13(7-11)20-10-19-12/h1-2,7H,3-6,8-10H2,(H2,15,18)
InChIKeyPJFZSTVTOAARPQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.02
Rot. Bonds4

About 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 862174) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
PubChem CID862174
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19N3O3/c15-14(18)9-17-5-3-16(4-6-17)8-11-1-2-12-13(7-11)20-10-19-12/h1-2,7H,3-6,8-10H2,(H2,15,18)
InChIKeyPJFZSTVTOAARPQ-UHFFFAOYSA-N
XLogP0.02
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide (CID 862174) is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is PJFZSTVTOAARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(18)9-17-5-3-16(4-6-17)8-11-1-2-12-13(7-11)20-10-19-12/h1-2,7H,3-6,8-10H2,(H2,15,18).
What are the key properties of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide?
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 862174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).