1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one

C25H30N4O3 — CID 15987109

IUPAC1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C(c1ccncc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1
InChIInChI=1S/C25H30N4O3/c30-24-18-28(25(31)19-8-12-26-13-9-19)16-17-29(24)21-4-6-22(7-5-21)32-23-10-14-27(15-11-23)20-2-1-3-20/h4-9,12-13,20,23H,1-3,10-11,14-18H2
InChIKeyUBKOSKZPODRNFX-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one

1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one (PubChem CID 15987109) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
PubChem CID15987109
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C(c1ccncc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1
InChIInChI=1S/C25H30N4O3/c30-24-18-28(25(31)19-8-12-26-13-9-19)16-17-29(24)21-4-6-22(7-5-21)32-23-10-14-27(15-11-23)20-2-1-3-20/h4-9,12-13,20,23H,1-3,10-11,14-18H2
InChIKeyUBKOSKZPODRNFX-UHFFFAOYSA-N
XLogP2.97
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-pyridin-3-ylethenyl)piperazin-2-one
CID 89390530
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4,5-dimethyl-3,4-dihydro-2H-azepine-7-carbonyl)piperazin-2-one
CID 143395460
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
CID 15987370
[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
CID 26328776
3-[2-oxo-4-(pyridine-4-carbonyl)piperazin-1-yl]benzaldehyde
CID 134787339
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one (CID 15987109) is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one is O=C(c1ccncc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1.
What is the InChIKey of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
The InChIKey is UBKOSKZPODRNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24-18-28(25(31)19-8-12-26-13-9-19)16-17-29(24)21-4-6-22(7-5-21)32-23-10-14-27(15-11-23)20-2-1-3-20/h4-9,12-13,20,23H,1-3,10-11,14-18H2.
What are the key properties of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.97, 5 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-(pyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 15987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).