1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one

C26H32N4O2 — CID 89390530

IUPAC1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one
SMILESC=C(c1cccnc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1
InChIInChI=1S/C26H32N4O2/c1-20(21-4-3-13-27-18-21)29-16-17-30(26(31)19-29)23-7-9-24(10-8-23)32-25-11-14-28(15-12-25)22-5-2-6-22/h3-4,7-10,13,18,22,25H,1-2,5-6,11-12,14-17,19H2
InChIKeyVUTSGSGEJHQYPH-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.80
Rot. Bonds6

About 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one

1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one (PubChem CID 89390530) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one.

Molecular Properties

Compound Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one
PubChem CID89390530
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one
SMILESC=C(c1cccnc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1
InChIInChI=1S/C26H32N4O2/c1-20(21-4-3-13-27-18-21)29-16-17-30(26(31)19-29)23-7-9-24(10-8-23)32-25-11-14-28(15-12-25)22-5-2-6-22/h3-4,7-10,13,18,22,25H,1-2,5-6,11-12,14-17,19H2
InChIKeyVUTSGSGEJHQYPH-UHFFFAOYSA-N
XLogP3.80
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one?
The IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one (CID 89390530) is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one.
What is the SMILES notation for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one?
The canonical SMILES for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one is C=C(c1cccnc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1.
What is the InChIKey of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one?
The InChIKey is VUTSGSGEJHQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20(21-4-3-13-27-18-21)29-16-17-30(26(31)19-29)23-7-9-24(10-8-23)32-25-11-14-28(15-12-25)22-5-2-6-22/h3-4,7-10,13,18,22,25H,1-2,5-6,11-12,14-17,19H2.
What are the key properties of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one?
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one has a molecular weight of 432.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one is sourced from PubChem (CID 89390530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).