1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C15H25N3O2 — CID 6465936

IUPAC1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESC=CCN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-6-16-9-11-18(12-10-16)15(20)14-4-7-17(8-5-14)13(2)19/h3,14H,1,4-12H2,2H3
InChIKeyGGZLQRWHEHXMNO-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.58
Rot. Bonds3

About 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 6465936) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID6465936
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESC=CCN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-6-16-9-11-18(12-10-16)15(20)14-4-7-17(8-5-14)13(2)19/h3,14H,1,4-12H2,2H3
InChIKeyGGZLQRWHEHXMNO-UHFFFAOYSA-N
XLogP0.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.58
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-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 6465936) is 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is C=CCN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is GGZLQRWHEHXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-6-16-9-11-18(12-10-16)15(20)14-4-7-17(8-5-14)13(2)19/h3,14H,1,4-12H2,2H3.
What are the key properties of 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 279.38 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 6465936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).