(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone

C22H23FN4O2 — CID 134143872

IUPAC(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1CCC[C@H](Nc2cnc3ccccc3n2)[C@@H]1C
InChIInChI=1S/C22H23FN4O2/c1-14-17(25-20-13-24-18-9-3-4-10-19(18)26-20)11-6-12-27(14)22(28)15-7-5-8-16(23)21(15)29-2/h3-5,7-10,13-14,17H,6,11-12H2,1-2H3,(H,25,26)/t14-,17-/m0/s1
InChIKeyUCUHFNPDSIOOIZ-YOEHRIQHSA-N
MW394.45 g/mol
LogP3.88
Rot. Bonds4

About (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone

(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone (PubChem CID 134143872) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone
PubChem CID134143872
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1CCC[C@H](Nc2cnc3ccccc3n2)[C@@H]1C
InChIInChI=1S/C22H23FN4O2/c1-14-17(25-20-13-24-18-9-3-4-10-19(18)26-20)11-6-12-27(14)22(28)15-7-5-8-16(23)21(15)29-2/h3-5,7-10,13-14,17H,6,11-12H2,1-2H3,(H,25,26)/t14-,17-/m0/s1
InChIKeyUCUHFNPDSIOOIZ-YOEHRIQHSA-N
XLogP3.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 90405402
(3-fluoro-2-methoxyphenyl)-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411991
[(2S,3R)-3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 86271495
[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123296473
(2-ethoxyphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271215
[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271584
[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271014
2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
CID 144829887
[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405036
2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
CID 64818215
[(2S,3R)-2-methyl-3-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90442581
(3-fluoro-2-methoxyphenyl)-[(2S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]imino]piperidin-1-yl]methanone
CID 154023431

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone (CID 134143872) is (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone is COc1c(F)cccc1C(=O)N1CCC[C@H](Nc2cnc3ccccc3n2)[C@@H]1C.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is UCUHFNPDSIOOIZ-YOEHRIQHSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-17(25-20-13-24-18-9-3-4-10-19(18)26-20)11-6-12-27(14)22(28)15-7-5-8-16(23)21(15)29-2/h3-5,7-10,13-14,17H,6,11-12H2,1-2H3,(H,25,26)/t14-,17-/m0/s1.
What are the key properties of (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone?
(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 134143872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).