2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide

C15H29N5O2 — CID 110963225

IUPAC2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H29N5O2/c1-6-16-14(17-11-13(22)18-15(3,4)5)20-9-7-19(8-10-20)12(2)21/h6-11H2,1-5H3,(H,16,17)(H,18,22)
InChIKeyBCINUEROEXVJIN-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.03
Rot. Bonds3

About 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide

2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide (PubChem CID 110963225) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
PubChem CID110963225
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Name2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H29N5O2/c1-6-16-14(17-11-13(22)18-15(3,4)5)20-9-7-19(8-10-20)12(2)21/h6-11H2,1-5H3,(H,16,17)(H,18,22)
InChIKeyBCINUEROEXVJIN-UHFFFAOYSA-N
XLogP0.03
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.03
H-Bond Donors ≤ 52
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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Related Compounds

N-tert-butyl-2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]acetamide
CID 111184572
tert-butyl 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]acetate;hydroiodide
CID 111546954
2-[[[2-(4-acetylpiperazin-1-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111382697
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111152485
N-tert-butyl-2-[[[4-(3-chlorophenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]acetamide
CID 111186611
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 110962985
4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110963403
N-tert-butyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263370
N-tert-butyl-2-[[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111303140
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
N-tert-butyl-2-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111732142
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide (CID 110963225) is 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide is CCN/C(=N\CC(=O)NC(C)(C)C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is BCINUEROEXVJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-6-16-14(17-11-13(22)18-15(3,4)5)20-9-7-19(8-10-20)12(2)21/h6-11H2,1-5H3,(H,16,17)(H,18,22).
What are the key properties of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 311.43 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide is sourced from PubChem (CID 110963225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).