ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate

C14H23N5O3 — CID 119726260

IUPACethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N5O3/c1-2-22-13(20)4-3-7-16-14(21)12-10-19(18-17-12)11-5-8-15-9-6-11/h10-11,15H,2-9H2,1H3,(H,16,21)
InChIKeySQFPVEKYNQTUCI-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.28
Rot. Bonds7

About ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate

ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate (PubChem CID 119726260) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
PubChem CID119726260
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nameethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N5O3/c1-2-22-13(20)4-3-7-16-14(21)12-10-19(18-17-12)11-5-8-15-9-6-11/h10-11,15H,2-9H2,1H3,(H,16,21)
InChIKeySQFPVEKYNQTUCI-UHFFFAOYSA-N
XLogP0.28
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate (CID 119726260) is ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate?
The InChIKey is SQFPVEKYNQTUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-2-22-13(20)4-3-7-16-14(21)12-10-19(18-17-12)11-5-8-15-9-6-11/h10-11,15H,2-9H2,1H3,(H,16,21).
What are the key properties of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate?
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate has a molecular weight of 309.37 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate is sourced from PubChem (CID 119726260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).