methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate

C19H22N4O5 — CID 55640680

IUPACmethyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C19H22N4O5/c1-27-18(25)15-7-9-22(10-8-15)17(24)13-28-19(26)16-12-23(21-20-16)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3
InChIKeyLNNUGXKFGOSHGJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.89
Rot. Bonds6

About methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate

methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 55640680) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID55640680
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Namemethyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C19H22N4O5/c1-27-18(25)15-7-9-22(10-8-15)17(24)13-28-19(26)16-12-23(21-20-16)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3
InChIKeyLNNUGXKFGOSHGJ-UHFFFAOYSA-N
XLogP0.89
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516705
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135397
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665
methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7193669
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
cyanomethyl 1-benzyltriazole-4-carboxylate
CID 31027649
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 24686254
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432280

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 55640680) is methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)CC1.
What is the InChIKey of methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is LNNUGXKFGOSHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-27-18(25)15-7-9-22(10-8-15)17(24)13-28-19(26)16-12-23(21-20-16)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3.
What are the key properties of methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55640680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).