5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one

C15H31N3O — CID 134907887

IUPAC5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one
SMILESCCCN1CC(C)(CNC(C)(C)C)NC(C)(C)C1=O
InChIInChI=1S/C15H31N3O/c1-8-9-18-11-15(7,10-16-13(2,3)4)17-14(5,6)12(18)19/h16-17H,8-11H2,1-7H3
InChIKeyAVIRFIUJUQUKSW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.75
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one

5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one (PubChem CID 134907887) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one
PubChem CID134907887
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one
SMILESCCCN1CC(C)(CNC(C)(C)C)NC(C)(C)C1=O
InChIInChI=1S/C15H31N3O/c1-8-9-18-11-15(7,10-16-13(2,3)4)17-14(5,6)12(18)19/h16-17H,8-11H2,1-7H3
InChIKeyAVIRFIUJUQUKSW-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one?
The IUPAC name of 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one (CID 134907887) is 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one?
The canonical SMILES for 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one is CCCN1CC(C)(CNC(C)(C)C)NC(C)(C)C1=O.
What is the InChIKey of 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one?
The InChIKey is AVIRFIUJUQUKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-8-9-18-11-15(7,10-16-13(2,3)4)17-14(5,6)12(18)19/h16-17H,8-11H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one?
5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one has a molecular weight of 269.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one is sourced from PubChem (CID 134907887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).