1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione

C12H23N3O3 — CID 107506331

IUPAC1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione
SMILESCCCNC(COC)CN1CC(=O)N(C)CC1=O
InChIInChI=1S/C12H23N3O3/c1-4-5-13-10(9-18-3)6-15-8-11(16)14(2)7-12(15)17/h10,13H,4-9H2,1-3H3
InChIKeySQNNUXYRUUWRFQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.70
Rot. Bonds7

About 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione

1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione (PubChem CID 107506331) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione
PubChem CID107506331
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione
SMILESCCCNC(COC)CN1CC(=O)N(C)CC1=O
InChIInChI=1S/C12H23N3O3/c1-4-5-13-10(9-18-3)6-15-8-11(16)14(2)7-12(15)17/h10,13H,4-9H2,1-3H3
InChIKeySQNNUXYRUUWRFQ-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(propylamino)propyl]azepane-2,7-dione
CID 107506115
1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
CID 79937209
1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one
CID 107506387
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266
5-ethyl-2-[3-methoxy-2-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506475
1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936715
1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one
CID 107506251
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432
methyl 2-ethyl-4-(4-methyl-2,5-dioxopiperazin-1-yl)but-2-enoate
CID 79937372
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione
CID 79937214
1-[2-cyclopropyl-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936382

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione (CID 107506331) is 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione is CCCNC(COC)CN1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione?
The InChIKey is SQNNUXYRUUWRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-5-13-10(9-18-3)6-15-8-11(16)14(2)7-12(15)17/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione?
1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione has a molecular weight of 257.33 g/mol, XLogP of -0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 107506331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).