2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide

C12H23N5O — CID 142004867

IUPAC2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C12H23N5O/c1-15-7-3-10(4-8-15)17-6-2-5-16(12(17)18)9-11(13)14/h10H,2-9H2,1H3,(H3,13,14)
InChIKeyOOLPZGRNVJQDEU-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.14
Rot. Bonds3

About 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide

2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide (PubChem CID 142004867) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide
PubChem CID142004867
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C12H23N5O/c1-15-7-3-10(4-8-15)17-6-2-5-16(12(17)18)9-11(13)14/h10H,2-9H2,1H3,(H3,13,14)
InChIKeyOOLPZGRNVJQDEU-UHFFFAOYSA-N
XLogP0.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide?
The IUPAC name of 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide (CID 142004867) is 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide.
What is the SMILES notation for 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide?
The canonical SMILES for 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCCN(C2CCN(C)CC2)C1=O.
What is the InChIKey of 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide?
The InChIKey is OOLPZGRNVJQDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-15-7-3-10(4-8-15)17-6-2-5-16(12(17)18)9-11(13)14/h10H,2-9H2,1H3,(H3,13,14).
What are the key properties of 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide?
2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide has a molecular weight of 253.35 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide is sourced from PubChem (CID 142004867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).