1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione

C12H23N3O2 — CID 79936258

IUPAC1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione
SMILESCCNC(C)CCCN1CC(=O)N(C)CC1=O
InChIInChI=1S/C12H23N3O2/c1-4-13-10(2)6-5-7-15-9-11(16)14(3)8-12(15)17/h10,13H,4-9H2,1-3H3
InChIKeyHRDNYYMRKDSOMO-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds6

About 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione

1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione (PubChem CID 79936258) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione
PubChem CID79936258
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione
SMILESCCNC(C)CCCN1CC(=O)N(C)CC1=O
InChIInChI=1S/C12H23N3O2/c1-4-13-10(2)6-5-7-15-9-11(16)14(3)8-12(15)17/h10,13H,4-9H2,1-3H3
InChIKeyHRDNYYMRKDSOMO-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione
CID 79937270
1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
CID 79937209
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936715
1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
CID 79937575
1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936808
1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
CID 115825071
1-(5-chloropentyl)-4-methylpiperazine-2,5-dione
CID 79937384
1-(5-bromopentyl)-4-methylpiperazine-2,5-dione
CID 79936793
1-methyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344647
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione
CID 62928752

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione (CID 79936258) is 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione is CCNC(C)CCCN1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione?
The InChIKey is HRDNYYMRKDSOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-13-10(2)6-5-7-15-9-11(16)14(3)8-12(15)17/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione?
1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)pentyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79936258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).