N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide

C14H27N5O — CID 70289659

IUPACN-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(C)C2CNCC=N2)CC1
InChIInChI=1S/C14H27N5O/c1-12(14-11-15-3-4-17-14)19-9-7-18(8-10-19)6-5-16-13(2)20/h4,12,14-15H,3,5-11H2,1-2H3,(H,16,20)
InChIKeyJDEZDMWGGVVVAJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.83
Rot. Bonds5

About N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 70289659) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide
PubChem CID70289659
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(C)C2CNCC=N2)CC1
InChIInChI=1S/C14H27N5O/c1-12(14-11-15-3-4-17-14)19-9-7-18(8-10-19)6-5-16-13(2)20/h4,12,14-15H,3,5-11H2,1-2H3,(H,16,20)
InChIKeyJDEZDMWGGVVVAJ-UHFFFAOYSA-N
XLogP-0.83
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide (CID 70289659) is N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(C)C2CNCC=N2)CC1.
What is the InChIKey of N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is JDEZDMWGGVVVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-12(14-11-15-3-4-17-14)19-9-7-18(8-10-19)6-5-16-13(2)20/h4,12,14-15H,3,5-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 281.40 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(1,2,3,6-tetrahydropyrazin-3-yl)ethyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).