1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride

C10H20ClN3O — CID 118115291

IUPAC1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
SMILESCN1CCCN([C@@H]2CCCNC2)C1=O.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-12-6-3-7-13(10(12)14)9-4-2-5-11-8-9;/h9,11H,2-8H2,1H3;1H/t9-;/m1./s1
InChIKeyBUNYQMSRNDZSBK-SBSPUUFOSA-N
MW233.74 g/mol
LogP0.92
Rot. Bonds1

About 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride

1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride (PubChem CID 118115291) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
PubChem CID118115291
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
SMILESCN1CCCN([C@@H]2CCCNC2)C1=O.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-12-6-3-7-13(10(12)14)9-4-2-5-11-8-9;/h9,11H,2-8H2,1H3;1H/t9-;/m1./s1
InChIKeyBUNYQMSRNDZSBK-SBSPUUFOSA-N
XLogP0.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
The IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride (CID 118115291) is 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
The canonical SMILES for 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride is CN1CCCN([C@@H]2CCCNC2)C1=O.Cl.
What is the InChIKey of 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
The InChIKey is BUNYQMSRNDZSBK-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-12-6-3-7-13(10(12)14)9-4-2-5-11-8-9;/h9,11H,2-8H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride is sourced from PubChem (CID 118115291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).