methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate

C14H16N4O2 — CID 103204947

IUPACmethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc3ccccc3n2)CC1
InChIInChI=1S/C14H16N4O2/c1-20-13(19)10-6-8-18(9-7-10)14-15-11-4-2-3-5-12(11)16-17-14/h2-5,10H,6-9H2,1H3
InChIKeyFJSYVHLDZBEEAT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.41
Rot. Bonds2

About methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate

methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate (PubChem CID 103204947) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
PubChem CID103204947
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc3ccccc3n2)CC1
InChIInChI=1S/C14H16N4O2/c1-20-13(19)10-6-8-18(9-7-10)14-15-11-4-2-3-5-12(11)16-17-14/h2-5,10H,6-9H2,1H3
InChIKeyFJSYVHLDZBEEAT-UHFFFAOYSA-N
XLogP1.41
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(1,2,4-benzotriazin-3-yl)-4-methylpyrrolidine-3-carboxylate
CID 103204962
1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 103204663
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate
CID 63372924
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
CID 103204643
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate (CID 103204947) is methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nnc3ccccc3n2)CC1.
What is the InChIKey of methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate?
The InChIKey is FJSYVHLDZBEEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-13(19)10-6-8-18(9-7-10)14-15-11-4-2-3-5-12(11)16-17-14/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate?
methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 103204947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).