1-(3-aminopropyl)-4-methylpiperazine-2,5-dione

C8H15N3O2 — CID 79937549

IUPAC1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCN)CC1=O
InChIInChI=1S/C8H15N3O2/c1-10-5-8(13)11(4-2-3-9)6-7(10)12/h2-6,9H2,1H3
InChIKeyRZJWDNNXUNIULU-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.36
Rot. Bonds3

About 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione

1-(3-aminopropyl)-4-methylpiperazine-2,5-dione (PubChem CID 79937549) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
PubChem CID79937549
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCN)CC1=O
InChIInChI=1S/C8H15N3O2/c1-10-5-8(13)11(4-2-3-9)6-7(10)12/h2-6,9H2,1H3
InChIKeyRZJWDNNXUNIULU-UHFFFAOYSA-N
XLogP-1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione (CID 79937549) is 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CCCN)CC1=O.
What is the InChIKey of 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione?
The InChIKey is RZJWDNNXUNIULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-10-5-8(13)11(4-2-3-9)6-7(10)12/h2-6,9H2,1H3.
What are the key properties of 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione?
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione has a molecular weight of 185.23 g/mol, XLogP of -1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).