1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one

C26H38N4O2 — CID 59451085

IUPAC1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
SMILESO=c1c(N2CCC(O)CC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C26H38N4O2/c31-22-14-18-29(19-15-22)25-26(32)30(24-11-7-6-10-23(24)27-25)21-12-16-28(17-13-21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-22,31H,1-5,8-9,12-19H2
InChIKeySEFGVUPZVPVVNI-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.11
Rot. Bonds3

About 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one

1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one (PubChem CID 59451085) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
PubChem CID59451085
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
SMILESO=c1c(N2CCC(O)CC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C26H38N4O2/c31-22-14-18-29(19-15-22)25-26(32)30(24-11-7-6-10-23(24)27-25)21-12-16-28(17-13-21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-22,31H,1-5,8-9,12-19H2
InChIKeySEFGVUPZVPVVNI-UHFFFAOYSA-N
XLogP4.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidine-3-carboxylic acid
CID 59451028
2-[2-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoacetic acid
CID 59450898
N-[(3S)-1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidin-3-yl]-methylboronamidic acid
CID 59451251
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
CID 118919117
1-(1-cyclooctylpiperidin-4-yl)-3-(3-iminopyrrolidin-1-yl)quinoxalin-2-one
CID 163455019
1-(1-cyclooctylpiperidin-4-yl)-3-(2,3-dihydroindol-1-yl)quinoxalin-2-one
CID 59451001
3-[(3S)-3-aminopyrrolidin-1-yl]-1-(1-cycloheptylpiperidin-4-yl)quinoxalin-2-one;N-[(3S)-1-[4-(1-cycloheptylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidin-3-yl]-methylboronamidic acid;hydrochloride
CID 160568741
3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
CID 59450940
3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
CID 118919113
2-[[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]amino]propanal
CID 146238944
4-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]-3-methylbutanoic acid
CID 159717370
4-(1-cyclooctylpiperidin-4-yl)-N-(2,3-dihydroxypropyl)-3-oxoquinoxaline-2-carboxamide
CID 59451176

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one (CID 59451085) is 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one is O=c1c(N2CCC(O)CC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one?
The InChIKey is SEFGVUPZVPVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c31-22-14-18-29(19-15-22)25-26(32)30(24-11-7-6-10-23(24)27-25)21-12-16-28(17-13-21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-22,31H,1-5,8-9,12-19H2.
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one?
1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one has a molecular weight of 438.62 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one is sourced from PubChem (CID 59451085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).