4-acetyl-N-ethylpiperazine-1-carboxamide

C9H17N3O2 — CID 819365

IUPAC4-acetyl-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)
InChIKeyDXJHUMXFQJQTMZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.12
Rot. Bonds1

About 4-acetyl-N-ethylpiperazine-1-carboxamide

4-acetyl-N-ethylpiperazine-1-carboxamide (PubChem CID 819365) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-acetyl-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-ethylpiperazine-1-carboxamide
PubChem CID819365
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-acetyl-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)
InChIKeyDXJHUMXFQJQTMZ-UHFFFAOYSA-N
XLogP-0.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-ethylpiperazine-1-carboxamide (CID 819365) is 4-acetyl-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethylpiperazine-1-carboxamide?
The InChIKey is DXJHUMXFQJQTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14).
What are the key properties of 4-acetyl-N-ethylpiperazine-1-carboxamide?
4-acetyl-N-ethylpiperazine-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 819365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).