4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one

C32H59N7O4 — CID 91351954

About 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one

4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one (PubChem CID 91351954) has the molecular formula C32H59N7O4 and a molecular weight of 605.87 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one.

Molecular Properties

• Compound Name: 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one
• PubChem CID: 91351954
• Molecular Formula: C32H59N7O4
• Molecular Weight: 605.87 g/mol
• Exact Mass: 605.46
• IUPAC Name: 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one
• SMILES: CN1CCC(N2CCCCC2=O)CC1.CN1CCC(N2CCN(C)CC2=O)CC1.CN1CCC(N2CCOCC2=O)CC1
• InChI: InChI=1S/C11H21N3O.C11H20N2O.C10H18N2O2/c1-12-5-3-10(4-6-12)14-8-7-13(2)9-11(14)15;1-12-8-5-10(6-9-12)13-7-3-2-4-11(13)14;1-11-4-2-9(3-5-11)12-6-7-14-8-10(12)13/h10H,3-9H2,1-2H3;10H,2-9H2,1H3;9H,2-8H2,1H3
• InChIKey: STDXBWSAFUTLDZ-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 83.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.87
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one?

The IUPAC name of 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one (CID 91351954) is 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one.

What is the SMILES notation for 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one?

The canonical SMILES for 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one is CN1CCC(N2CCCCC2=O)CC1.CN1CCC(N2CCN(C)CC2=O)CC1.CN1CCC(N2CCOCC2=O)CC1.

What is the InChIKey of 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one?

The InChIKey is STDXBWSAFUTLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C11H20N2O.C10H18N2O2/c1-12-5-3-10(4-6-12)14-8-7-13(2)9-11(14)15;1-12-8-5-10(6-9-12)13-7-3-2-4-11(13)14;1-11-4-2-9(3-5-11)12-6-7-14-8-10(12)13/h10H,3-9H2,1-2H3;10H,2-9H2,1H3;9H,2-8H2,1H3.

What are the key properties of 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one?

4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one has a molecular weight of 605.87 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 91351954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).