1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide

C18H20BrN5O3 — CID 125127598

IUPAC1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Br)cc2)C3)CC1
InChIInChI=1S/C18H20BrN5O3/c19-13-3-1-11(2-4-13)15-9-24-14(10-27-15)16(21-22-24)18(26)23-7-5-12(6-8-23)17(20)25/h1-4,12,15H,5-10H2,(H2,20,25)/t15-/m0/s1
InChIKeyOAMGXNVQYWAIKT-HNNXBMFYSA-N
MW434.29 g/mol
LogP1.65
Rot. Bonds3

About 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide

1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 125127598) has the molecular formula C18H20BrN5O3 and a molecular weight of 434.29 g/mol. Its IUPAC name is 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
PubChem CID125127598
Molecular FormulaC18H20BrN5O3
Molecular Weight434.29 g/mol
Exact Mass433.07
IUPAC Name1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Br)cc2)C3)CC1
InChIInChI=1S/C18H20BrN5O3/c19-13-3-1-11(2-4-13)15-9-24-14(10-27-15)16(21-22-24)18(26)23-7-5-12(6-8-23)17(20)25/h1-4,12,15H,5-10H2,(H2,20,25)/t15-/m0/s1
InChIKeyOAMGXNVQYWAIKT-HNNXBMFYSA-N
XLogP1.65
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-pyrrolidin-1-ylmethanone
CID 91890722
phenyl-[4-(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]methanone
CID 87053573
1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 91889300
N-(cyclopropylmethyl)-1-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053719
1-[4-[(6S)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]ethanone
CID 125127758
[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 125127323
ethyl 4-[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazine-1-carboxylate
CID 125127304
N-[(2,4-difluorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 91889287
1-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 91889301
N-(3-fluoro-4-methylphenyl)-1-[6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053786
(2-fluorophenyl)-[4-(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]methanone
CID 87053566
[4-(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 87053561

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide (CID 125127598) is 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Br)cc2)C3)CC1.
What is the InChIKey of 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is OAMGXNVQYWAIKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20BrN5O3/c19-13-3-1-11(2-4-13)15-9-24-14(10-27-15)16(21-22-24)18(26)23-7-5-12(6-8-23)17(20)25/h1-4,12,15H,5-10H2,(H2,20,25)/t15-/m0/s1.
What are the key properties of 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide?
1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 125127598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).