4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide

C14H29N5O — CID 110962731

IUPAC4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H29N5O/c1-5-15-14(16-7-8-17(4)6-2)19-11-9-18(10-12-19)13(3)20/h5-12H2,1-4H3,(H,15,16)
InChIKeyMFGRASFYXMRSHH-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.07
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide (PubChem CID 110962731) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide
PubChem CID110962731
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H29N5O/c1-5-15-14(16-7-8-17(4)6-2)19-11-9-18(10-12-19)13(3)20/h5-12H2,1-4H3,(H,15,16)
InChIKeyMFGRASFYXMRSHH-UHFFFAOYSA-N
XLogP0.07
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide (CID 110962731) is 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCN(C)CC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide?
The InChIKey is MFGRASFYXMRSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-5-15-14(16-7-8-17(4)6-2)19-11-9-18(10-12-19)13(3)20/h5-12H2,1-4H3,(H,15,16).
What are the key properties of 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide has a molecular weight of 283.42 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110962731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).