methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate

C14H21N5O5 — CID 112531700

IUPACmethyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C14H21N5O5/c1-3-24-14(22)16-11-8-15-19(17-11)9-12(20)18-6-4-10(5-7-18)13(21)23-2/h8,10H,3-7,9H2,1-2H3,(H,16,17,22)
InChIKeyJAPKYBMFRLVTQP-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.26
Rot. Bonds5

About methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate (PubChem CID 112531700) has the molecular formula C14H21N5O5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
PubChem CID112531700
Molecular FormulaC14H21N5O5
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Namemethyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C14H21N5O5/c1-3-24-14(22)16-11-8-15-19(17-11)9-12(20)18-6-4-10(5-7-18)13(21)23-2/h8,10H,3-7,9H2,1-2H3,(H,16,17,22)
InChIKeyJAPKYBMFRLVTQP-UHFFFAOYSA-N
XLogP0.26
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
CID 112531278
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520362
methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112531885
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
CID 112535446
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate (CID 112531700) is methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)Nc1cnn(CC(=O)N2CCC(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is JAPKYBMFRLVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5/c1-3-24-14(22)16-11-8-15-19(17-11)9-12(20)18-6-4-10(5-7-18)13(21)23-2/h8,10H,3-7,9H2,1-2H3,(H,16,17,22).
What are the key properties of methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 112531700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).