1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone

C19H26FN3O2 — CID 99793533

IUPAC1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
SMILESCCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)c2cc(F)ccc21
InChIInChI=1S/C19H26FN3O2/c1-3-8-21-10-11-23(18-12-16(20)6-7-17(18)21)19(25)15-5-4-9-22(13-15)14(2)24/h6-7,12,15H,3-5,8-11,13H2,1-2H3/t15-/m0/s1
InChIKeyYDIQYQIATOOSHT-HNNXBMFYSA-N
MW347.43 g/mol
LogP2.65
Rot. Bonds3

About 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone

1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 99793533) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID99793533
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
SMILESCCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)c2cc(F)ccc21
InChIInChI=1S/C19H26FN3O2/c1-3-8-21-10-11-23(18-12-16(20)6-7-17(18)21)19(25)15-5-4-9-22(13-15)14(2)24/h6-7,12,15H,3-5,8-11,13H2,1-2H3/t15-/m0/s1
InChIKeyYDIQYQIATOOSHT-HNNXBMFYSA-N
XLogP2.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone (CID 99793533) is 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone is CCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)c2cc(F)ccc21.
What is the InChIKey of 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is YDIQYQIATOOSHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-8-21-10-11-23(18-12-16(20)6-7-17(18)21)19(25)15-5-4-9-22(13-15)14(2)24/h6-7,12,15H,3-5,8-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone?
1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 347.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 99793533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).