(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

C17H21FN6O — CID 119899705

IUPAC(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn(C3CCNCC3)nn2)c2ccc(F)cc21
InChIInChI=1S/C17H21FN6O/c1-22-8-9-23(15-3-2-12(18)10-16(15)22)17(25)14-11-24(21-20-14)13-4-6-19-7-5-13/h2-3,10-11,13,19H,4-9H2,1H3
InChIKeyKMWIGFBFSZITFM-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.44
Rot. Bonds2

About (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119899705) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119899705
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn(C3CCNCC3)nn2)c2ccc(F)cc21
InChIInChI=1S/C17H21FN6O/c1-22-8-9-23(15-3-2-12(18)10-16(15)22)17(25)14-11-24(21-20-14)13-4-6-19-7-5-13/h2-3,10-11,13,19H,4-9H2,1H3
InChIKeyKMWIGFBFSZITFM-UHFFFAOYSA-N
XLogP1.44
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119889132
[4-(2,5-difluorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119887866
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119685855
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119876922
(2-chloro-5-fluorophenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 105396445
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119783381
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119730672
(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788759
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119789022
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119883922
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119899705) is (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is CN1CCN(C(=O)c2cn(C3CCNCC3)nn2)c2ccc(F)cc21.
What is the InChIKey of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is KMWIGFBFSZITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-22-8-9-23(15-3-2-12(18)10-16(15)22)17(25)14-11-24(21-20-14)13-4-6-19-7-5-13/h2-3,10-11,13,19H,4-9H2,1H3.
What are the key properties of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 344.39 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119899705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).