1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione

C16H31N3O2 — CID 138467312

IUPAC1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione
SMILESCC(C)CCN1CC(=O)N(CCCNC(C)(C)C)CC1=O
InChIInChI=1S/C16H31N3O2/c1-13(2)7-10-19-12-14(20)18(11-15(19)21)9-6-8-17-16(3,4)5/h13,17H,6-12H2,1-5H3
InChIKeyRVIHBPUEWWIYRZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.48
Rot. Bonds7

About 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione

1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 138467312) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione
PubChem CID138467312
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione
SMILESCC(C)CCN1CC(=O)N(CCCNC(C)(C)C)CC1=O
InChIInChI=1S/C16H31N3O2/c1-13(2)7-10-19-12-14(20)18(11-15(19)21)9-6-8-17-16(3,4)5/h13,17H,6-12H2,1-5H3
InChIKeyRVIHBPUEWWIYRZ-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione (CID 138467312) is 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione is CC(C)CCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.
What is the InChIKey of 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is RVIHBPUEWWIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)7-10-19-12-14(20)18(11-15(19)21)9-6-8-17-16(3,4)5/h13,17H,6-12H2,1-5H3.
What are the key properties of 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione?
1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 297.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 138467312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).