ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate

C23H25N5O4 — CID 71793942

IUPACethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)CC1
InChIInChI=1S/C23H25N5O4/c1-3-32-23(30)16-11-14-27(15-12-16)22(29)20-21(17-8-6-7-13-24-17)28(26-25-20)18-9-4-5-10-19(18)31-2/h4-10,13,16H,3,11-12,14-15H2,1-2H3
InChIKeyXHPRWMDEORYHSO-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.75
Rot. Bonds6

About ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 71793942) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate
PubChem CID71793942
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)CC1
InChIInChI=1S/C23H25N5O4/c1-3-32-23(30)16-11-14-27(15-12-16)22(29)20-21(17-8-6-7-13-24-17)28(26-25-20)18-9-4-5-10-19(18)31-2/h4-10,13,16H,3,11-12,14-15H2,1-2H3
InChIKeyXHPRWMDEORYHSO-UHFFFAOYSA-N
XLogP2.75
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate (CID 71793942) is ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)CC1.
What is the InChIKey of ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is XHPRWMDEORYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-3-32-23(30)16-11-14-27(15-12-16)22(29)20-21(17-8-6-7-13-24-17)28(26-25-20)18-9-4-5-10-19(18)31-2/h4-10,13,16H,3,11-12,14-15H2,1-2H3.
What are the key properties of ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 71793942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).