2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide

C15H27N5O2 — CID 119158926

IUPAC2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
SMILESCCN/C(=N\CC(=O)NC(C)C)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H27N5O2/c1-4-16-15(17-9-13(21)18-11(2)3)19-7-8-20(12-5-6-12)14(22)10-19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,21)
InChIKeyXOVUNYVGOXTLQP-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.22
Rot. Bonds5

About 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide

2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide (PubChem CID 119158926) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
PubChem CID119158926
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
SMILESCCN/C(=N\CC(=O)NC(C)C)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H27N5O2/c1-4-16-15(17-9-13(21)18-11(2)3)19-7-8-20(12-5-6-12)14(22)10-19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,21)
InChIKeyXOVUNYVGOXTLQP-UHFFFAOYSA-N
XLogP-0.22
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.22
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'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119155547
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
4-cyclopropyl-N-ethyl-N'-[(4-methylsulfanyloxan-4-yl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119157456
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119158923
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119154397
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154329
4-cyclopropyl-N'-[[3-(dimethylamino)thiolan-3-yl]methyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119157722
4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119158866
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide (CID 119158926) is 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide is CCN/C(=N\CC(=O)NC(C)C)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide?
The InChIKey is XOVUNYVGOXTLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-4-16-15(17-9-13(21)18-11(2)3)19-7-8-20(12-5-6-12)14(22)10-19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,21).
What are the key properties of 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide?
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide has a molecular weight of 309.41 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 119158926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).