ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate

C15H24N4O2 — CID 141119249

IUPACethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate
SMILESCCOC(=O)CCCCn1nncc1C=C1CCCCN1
InChIInChI=1S/C15H24N4O2/c1-2-21-15(20)8-4-6-10-19-14(12-17-18-19)11-13-7-3-5-9-16-13/h11-12,16H,2-10H2,1H3
InChIKeyUKIVEUNIRBSOMA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds7

About ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate

ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate (PubChem CID 141119249) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate
PubChem CID141119249
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate
SMILESCCOC(=O)CCCCn1nncc1C=C1CCCCN1
InChIInChI=1S/C15H24N4O2/c1-2-21-15(20)8-4-6-10-19-14(12-17-18-19)11-13-7-3-5-9-16-13/h11-12,16H,2-10H2,1H3
InChIKeyUKIVEUNIRBSOMA-UHFFFAOYSA-N
XLogP2.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[5-[(E)-(4-oxo-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]pentanoate
CID 23139262
ethyl 5-[5-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]triazol-1-yl]pentanoate;2,2,2-trifluoroacetic acid
CID 23138653
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate
CID 115371201
ethyl 5-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]pentanoate
CID 23138558
ethyl 5-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]pentanoate
CID 87567530
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
diethyl hexanedioate
CID 160747628
ethyl (1Z)-2-(5-ethoxy-5-oxopentyl)cyclododecene-1-carboxylate
CID 100941297
ethyl 5-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]pentanoate
CID 141119281
ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
CID 11820653
diethyl icosanedioate
CID 5058538

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate?
The IUPAC name of ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate (CID 141119249) is ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate.
What is the SMILES notation for ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate?
The canonical SMILES for ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate is CCOC(=O)CCCCn1nncc1C=C1CCCCN1.
What is the InChIKey of ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate?
The InChIKey is UKIVEUNIRBSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-21-15(20)8-4-6-10-19-14(12-17-18-19)11-13-7-3-5-9-16-13/h11-12,16H,2-10H2,1H3.
What are the key properties of ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate?
ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate has a molecular weight of 292.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-(piperidin-2-ylidenemethyl)triazol-1-yl]pentanoate is sourced from PubChem (CID 141119249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).