(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

C15H27N3O — CID 63128723

IUPAC(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)C2(CC)CCNCC2)CC1
InChIInChI=1S/C15H27N3O/c1-3-9-17-10-12-18(13-11-17)14(19)15(4-2)5-7-16-8-6-15/h3,16H,1,4-13H2,2H3
InChIKeyQOGQXWQHAZIHSS-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.10
Rot. Bonds4

About (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 63128723) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID63128723
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)C2(CC)CCNCC2)CC1
InChIInChI=1S/C15H27N3O/c1-3-9-17-10-12-18(13-11-17)14(19)15(4-2)5-7-16-8-6-15/h3,16H,1,4-13H2,2H3
InChIKeyQOGQXWQHAZIHSS-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
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 (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 63128723) is (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)C2(CC)CCNCC2)CC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is QOGQXWQHAZIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-9-17-10-12-18(13-11-17)14(19)15(4-2)5-7-16-8-6-15/h3,16H,1,4-13H2,2H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 63128723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).