1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione

C10H17N3O2 — CID 79937114

IUPAC1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCNC2CC2)CC1=O
InChIInChI=1S/C10H17N3O2/c1-12-6-10(15)13(7-9(12)14)5-4-11-8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyNTVBULWWPKEXFX-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.96
Rot. Bonds4

About 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione

1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione (PubChem CID 79937114) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione
PubChem CID79937114
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCNC2CC2)CC1=O
InChIInChI=1S/C10H17N3O2/c1-12-6-10(15)13(7-9(12)14)5-4-11-8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyNTVBULWWPKEXFX-UHFFFAOYSA-N
XLogP-0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
CID 62927219
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
CID 79941482
1-[2-(cyclopropylamino)ethyl]-4-propan-2-ylpiperazine-2,3-dione
CID 113463133
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
1-[2-cyclopropyl-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936382
2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde
CID 79942571
1-(5-bromopentyl)-4-methylpiperazine-2,5-dione
CID 79936793
1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
CID 115825071
1-(5-chloropentyl)-4-methylpiperazine-2,5-dione
CID 79937384
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanethioamide
CID 79937030
1-methyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione (CID 79937114) is 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CCNC2CC2)CC1=O.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione?
The InChIKey is NTVBULWWPKEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-6-10(15)13(7-9(12)14)5-4-11-8-2-3-8/h8,11H,2-7H2,1H3.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione?
1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).