methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate

C14H24N4O3 — CID 106456378

IUPACmethyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate
SMILESCCCOCCn1nnc(C(=O)OC)c1C1CCNCC1
InChIInChI=1S/C14H24N4O3/c1-3-9-21-10-8-18-13(11-4-6-15-7-5-11)12(16-17-18)14(19)20-2/h11,15H,3-10H2,1-2H3
InChIKeyFXJDWDVNSKJGFI-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds7

About methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate

methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate (PubChem CID 106456378) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate
PubChem CID106456378
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Namemethyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate
SMILESCCCOCCn1nnc(C(=O)OC)c1C1CCNCC1
InChIInChI=1S/C14H24N4O3/c1-3-9-21-10-8-18-13(11-4-6-15-7-5-11)12(16-17-18)14(19)20-2/h11,15H,3-10H2,1-2H3
InChIKeyFXJDWDVNSKJGFI-UHFFFAOYSA-N
XLogP0.96
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-amino-3-oxopropyl)-5-piperidin-4-yltriazole-4-carboxylate
CID 103123641
1-(4-methoxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123203
methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate
CID 165486545
methyl 1-(oxan-4-yl)-5-piperidin-4-yltriazole-4-carboxylate
CID 103124278
5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine
CID 106459893
1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123333
1-(3-hydroxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123511
methyl 1-(2-butoxyethyl)-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646087
methyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103113453
methyl 1-(3-ethylsulfanylpropyl)-5-pyrrolidin-2-yltriazole-4-carboxylate
CID 103126874
ethyl 5-cyclopropyl-1-(6-hydroxyhexyl)triazole-4-carboxylate
CID 107706601
methyl 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carboxylate
CID 103113838

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate?
The IUPAC name of methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate (CID 106456378) is methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate?
The canonical SMILES for methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate is CCCOCCn1nnc(C(=O)OC)c1C1CCNCC1.
What is the InChIKey of methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate?
The InChIKey is FXJDWDVNSKJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-9-21-10-8-18-13(11-4-6-15-7-5-11)12(16-17-18)14(19)20-2/h11,15H,3-10H2,1-2H3.
What are the key properties of methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate?
methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-4-yl-1-(2-propoxyethyl)triazole-4-carboxylate is sourced from PubChem (CID 106456378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).