1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione

C14H27N3O2 — CID 79936715

IUPAC1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
SMILESCCCNC(C)CCN1CC(=O)N(CCC)CC1=O
InChIInChI=1S/C14H27N3O2/c1-4-7-15-12(3)6-9-17-11-13(18)16(8-5-2)10-14(17)19/h12,15H,4-11H2,1-3H3
InChIKeyATMHHAKLMGLDKM-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.85
Rot. Bonds8

About 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione

1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione (PubChem CID 79936715) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
PubChem CID79936715
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
SMILESCCCNC(C)CCN1CC(=O)N(CCC)CC1=O
InChIInChI=1S/C14H27N3O2/c1-4-7-15-12(3)6-9-17-11-13(18)16(8-5-2)10-14(17)19/h12,15H,4-11H2,1-3H3
InChIKeyATMHHAKLMGLDKM-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
The IUPAC name of 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione (CID 79936715) is 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione.
What is the SMILES notation for 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
The canonical SMILES for 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione is CCCNC(C)CCN1CC(=O)N(CCC)CC1=O.
What is the InChIKey of 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
The InChIKey is ATMHHAKLMGLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-7-15-12(3)6-9-17-11-13(18)16(8-5-2)10-14(17)19/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione has a molecular weight of 269.39 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione is sourced from PubChem (CID 79936715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).