N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide

C18H31N5O2 — CID 119157402

IUPACN'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(C(C)=O)CC1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C18H31N5O2/c1-3-19-18(20-12-15-6-8-21(9-7-15)14(2)24)22-10-11-23(16-4-5-16)17(25)13-22/h15-16H,3-13H2,1-2H3,(H,19,20)
InChIKeyHGEHJMYNHRHTKA-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.52
Rot. Bonds4

About N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide

N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 119157402) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
PubChem CID119157402
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(C(C)=O)CC1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C18H31N5O2/c1-3-19-18(20-12-15-6-8-21(9-7-15)14(2)24)22-10-11-23(16-4-5-16)17(25)13-22/h15-16H,3-13H2,1-2H3,(H,19,20)
InChIKeyHGEHJMYNHRHTKA-UHFFFAOYSA-N
XLogP0.52
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.52
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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Related Compounds

4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119155547
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 110964091
4-cyclopropyl-N-ethyl-N'-[(4-methylsulfanyloxan-4-yl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119157456
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119154397
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964090
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'-[(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

Frequently Asked Questions

What is the IUPAC name of N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide (CID 119157402) is N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide is CCN/C(=N\CC1CCN(C(C)=O)CC1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is HGEHJMYNHRHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-3-19-18(20-12-15-6-8-21(9-7-15)14(2)24)22-10-11-23(16-4-5-16)17(25)13-22/h15-16H,3-13H2,1-2H3,(H,19,20).
What are the key properties of N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide?
N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 349.48 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 119157402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).