4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one

C19H32N4O2 — CID 168818744

IUPAC4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2C2CC2)CC1=O
InChIInChI=1S/C19H32N4O2/c1-13-4-2-3-5-15(13)11-23-9-8-22(12-17(23)24)16-10-20-21-19(25)18(16)14-6-7-14/h13-16,18,20H,2-12H2,1H3,(H,21,25)
InChIKeyPMJKALNJMUGVNK-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.99
Rot. Bonds4

About 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one

4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (PubChem CID 168818744) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
PubChem CID168818744
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2C2CC2)CC1=O
InChIInChI=1S/C19H32N4O2/c1-13-4-2-3-5-15(13)11-23-9-8-22(12-17(23)24)16-10-20-21-19(25)18(16)14-6-7-14/h13-16,18,20H,2-12H2,1H3,(H,21,25)
InChIKeyPMJKALNJMUGVNK-UHFFFAOYSA-N
XLogP0.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The IUPAC name of 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (CID 168818744) is 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is CC1CCCCC1CN1CCN(C2CNNC(=O)C2C2CC2)CC1=O.
What is the InChIKey of 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The InChIKey is PMJKALNJMUGVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-13-4-2-3-5-15(13)11-23-9-8-22(12-17(23)24)16-10-20-21-19(25)18(16)14-6-7-14/h13-16,18,20H,2-12H2,1H3,(H,21,25).
What are the key properties of 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one has a molecular weight of 348.49 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is sourced from PubChem (CID 168818744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).