1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one

C18H37N3O — CID 21055546

IUPAC1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCCCCN(C)C(C)(C)CN1CC(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C18H37N3O/c1-10-11-12-19(8)16(2,3)13-21-14-17(4,5)20(9)18(6,7)15(21)22/h10-14H2,1-9H3
InChIKeyOQLDUIMAOKVAPD-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one

1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 21055546) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one
PubChem CID21055546
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCCCCN(C)C(C)(C)CN1CC(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C18H37N3O/c1-10-11-12-19(8)16(2,3)13-21-14-17(4,5)20(9)18(6,7)15(21)22/h10-14H2,1-9H3
InChIKeyOQLDUIMAOKVAPD-UHFFFAOYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
The IUPAC name of 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one (CID 21055546) is 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
The canonical SMILES for 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one is CCCCN(C)C(C)(C)CN1CC(C)(C)N(C)C(C)(C)C1=O.
What is the InChIKey of 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
The InChIKey is OQLDUIMAOKVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-10-11-12-19(8)16(2,3)13-21-14-17(4,5)20(9)18(6,7)15(21)22/h10-14H2,1-9H3.
What are the key properties of 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 311.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(methyl)amino]-2-methylpropyl]-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 21055546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).