N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide

C13H21N5O2 — CID 70289449

IUPACN-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)C2=CNCC=N2)CC1
InChIInChI=1S/C13H21N5O2/c1-11(19)15-4-5-17-6-8-18(9-7-17)13(20)12-10-14-2-3-16-12/h3,10,14H,2,4-9H2,1H3,(H,15,19)
InChIKeyGDPLOAVCPVEMGG-UHFFFAOYSA-N
MW279.34 g/mol
LogP-1.22
Rot. Bonds4

About N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70289449) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70289449
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)C2=CNCC=N2)CC1
InChIInChI=1S/C13H21N5O2/c1-11(19)15-4-5-17-6-8-18(9-7-17)13(20)12-10-14-2-3-16-12/h3,10,14H,2,4-9H2,1H3,(H,15,19)
InChIKeyGDPLOAVCPVEMGG-UHFFFAOYSA-N
XLogP-1.22
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide (CID 70289449) is N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(=O)C2=CNCC=N2)CC1.
What is the InChIKey of N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is GDPLOAVCPVEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-11(19)15-4-5-17-6-8-18(9-7-17)13(20)12-10-14-2-3-16-12/h3,10,14H,2,4-9H2,1H3,(H,15,19).
What are the key properties of N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).