1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one

C18H29N3O2 — CID 71853359

IUPAC1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one
SMILESC=CCC(CC=C)C(=O)N1CCCC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-7-15(8-5-2)17(22)21-10-6-9-16(21)18(23)20-13-11-19(3)12-14-20/h4-5,15-16H,1-2,6-14H2,3H3
InChIKeyBVFZLXOFUPFXFJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.52
Rot. Bonds6

About 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one

1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one (PubChem CID 71853359) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one
PubChem CID71853359
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one
SMILESC=CCC(CC=C)C(=O)N1CCCC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-7-15(8-5-2)17(22)21-10-6-9-16(21)18(23)20-13-11-19(3)12-14-20/h4-5,15-16H,1-2,6-14H2,3H3
InChIKeyBVFZLXOFUPFXFJ-UHFFFAOYSA-N
XLogP1.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
The IUPAC name of 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one (CID 71853359) is 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one.
What is the SMILES notation for 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
The canonical SMILES for 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one is C=CCC(CC=C)C(=O)N1CCCC1C(=O)N1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
The InChIKey is BVFZLXOFUPFXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-7-15(8-5-2)17(22)21-10-6-9-16(21)18(23)20-13-11-19(3)12-14-20/h4-5,15-16H,1-2,6-14H2,3H3.
What are the key properties of 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one has a molecular weight of 319.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one is sourced from PubChem (CID 71853359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).