[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C18H22N4O2 — CID 95758800

IUPAC[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C18H22N4O2/c23-17-7-3-6-16(17)21-8-10-22(11-9-21)18(24)15-12-19-13-4-1-2-5-14(13)20-15/h1-2,4-5,12,16-17,23H,3,6-11H2/t16-,17+/m1/s1
InChIKeyHQGYRBIQNKCMDH-SJORKVTESA-N
MW326.40 g/mol
LogP1.30
Rot. Bonds2

About [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 95758800) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID95758800
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C18H22N4O2/c23-17-7-3-6-16(17)21-8-10-22(11-9-21)18(24)15-12-19-13-4-1-2-5-14(13)20-15/h1-2,4-5,12,16-17,23H,3,6-11H2/t16-,17+/m1/s1
InChIKeyHQGYRBIQNKCMDH-SJORKVTESA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799107
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-2-yl)methanone;dihydrochloride
CID 119635006

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 95758800) is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is HQGYRBIQNKCMDH-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-7-3-6-16(17)21-8-10-22(11-9-21)18(24)15-12-19-13-4-1-2-5-14(13)20-15/h1-2,4-5,12,16-17,23H,3,6-11H2/t16-,17+/m1/s1.
What are the key properties of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 95758800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).