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

C16H31N3O2 — CID 79937270

IUPAC1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione
SMILESCCCNC(C)CCCCN1CC(=O)N(CCC)CC1=O
InChIInChI=1S/C16H31N3O2/c1-4-9-17-14(3)8-6-7-11-19-13-15(20)18(10-5-2)12-16(19)21/h14,17H,4-13H2,1-3H3
InChIKeyXOVVVUJPRYRUOY-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.63
Rot. Bonds10

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

1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione (PubChem CID 79937270) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione
PubChem CID79937270
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione
SMILESCCCNC(C)CCCCN1CC(=O)N(CCC)CC1=O
InChIInChI=1S/C16H31N3O2/c1-4-9-17-14(3)8-6-7-11-19-13-15(20)18(10-5-2)12-16(19)21/h14,17H,4-13H2,1-3H3
InChIKeyXOVVVUJPRYRUOY-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.63
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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Related Compounds

1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936715
1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936808
1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione
CID 79936258
2-[4-(propylamino)pentyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79926386
1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
CID 79936044
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
CID 79942052
4-methyl-1-[4-(propylamino)pentyl]piperidine-2,6-dione
CID 79506055
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1,4-dibutylpiperazine-2,5-dione
CID 19902955
N-propylnonan-2-amine
CID 43129664
1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one
CID 62492199

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione?
The IUPAC name of 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione (CID 79937270) is 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione.
What is the SMILES notation for 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione?
The canonical SMILES for 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione is CCCNC(C)CCCCN1CC(=O)N(CCC)CC1=O.
What is the InChIKey of 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione?
The InChIKey is XOVVVUJPRYRUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-9-17-14(3)8-6-7-11-19-13-15(20)18(10-5-2)12-16(19)21/h14,17H,4-13H2,1-3H3.
What are the key properties of 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione?
1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione has a molecular weight of 297.44 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione is sourced from PubChem (CID 79937270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).