2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone

C16H19N5O2 — CID 119730672

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CCOc2ccccc21
InChIInChI=1S/C16H19N5O2/c22-16(20-9-10-23-15-4-2-1-3-14(15)20)13-11-21(19-18-13)12-5-7-17-8-6-12/h1-4,11-12,17H,5-10H2
InChIKeyTYDMJOFLNDVQDT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.24
Rot. Bonds2

About 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone

2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119730672) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119730672
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CCOc2ccccc21
InChIInChI=1S/C16H19N5O2/c22-16(20-9-10-23-15-4-2-1-3-14(15)20)13-11-21(19-18-13)12-5-7-17-8-6-12/h1-4,11-12,17H,5-10H2
InChIKeyTYDMJOFLNDVQDT-UHFFFAOYSA-N
XLogP1.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.24
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-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788759
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119789022
1-piperidin-4-yl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)triazole-4-carboxamide;hydrochloride
CID 119761004
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119876922
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
CID 61260164
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119899705
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119783381
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119685855

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119730672) is 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone is O=C(c1cn(C2CCNCC2)nn1)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is TYDMJOFLNDVQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-16(20-9-10-23-15-4-2-1-3-14(15)20)13-11-21(19-18-13)12-5-7-17-8-6-12/h1-4,11-12,17H,5-10H2.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119730672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).