methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)

C39H80N6O4 — CID 160715290

About methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)

methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one) (PubChem CID 160715290) has the molecular formula C39H80N6O4 and a molecular weight of 697.11 g/mol. Its IUPAC name is methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one).

Molecular Properties

• Compound Name: methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
• PubChem CID: 160715290
• Molecular Formula: C39H80N6O4
• Molecular Weight: 697.11 g/mol
• Exact Mass: 696.62
• IUPAC Name: methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
• SMILES: C.C.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1
• InChI: InChI=1S/C10H20N2O.C9H18N2O.2C9H17NO.2CH4/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;2*1-8(2)9(11)10-6-4-3-5-7-10;;/h8-9H,4-7H2,1-3H3,(H,11,13);8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;2*1H4
• InChIKey: RSJQPFVYDBBGEP-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 96.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.11
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)?

The IUPAC name of methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one) (CID 160715290) is methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one).

What is the SMILES notation for methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)?

The canonical SMILES for methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one) is C.C.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.

What is the InChIKey of methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)?

The InChIKey is RSJQPFVYDBBGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H18N2O.2C9H17NO.2CH4/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;2*1-8(2)9(11)10-6-4-3-5-7-10;;/h8-9H,4-7H2,1-3H3,(H,11,13);8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;2*1H4.

What are the key properties of methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)?

methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one) has a molecular weight of 697.11 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one) is sourced from PubChem (CID 160715290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).