methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate

C15H26N4O3 — CID 95202309

IUPACmethyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate
SMILESCCn1c([C@@H]2CCCNC2)nn(CCCCC(=O)OC)c1=O
InChIInChI=1S/C15H26N4O3/c1-3-18-14(12-7-6-9-16-11-12)17-19(15(18)21)10-5-4-8-13(20)22-2/h12,16H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyDGSOLGCPNDBNFX-GFCCVEGCSA-N
MW310.40 g/mol
LogP0.88
Rot. Bonds7

About methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate

methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate (PubChem CID 95202309) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate
PubChem CID95202309
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Namemethyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate
SMILESCCn1c([C@@H]2CCCNC2)nn(CCCCC(=O)OC)c1=O
InChIInChI=1S/C15H26N4O3/c1-3-18-14(12-7-6-9-16-11-12)17-19(15(18)21)10-5-4-8-13(20)22-2/h12,16H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyDGSOLGCPNDBNFX-GFCCVEGCSA-N
XLogP0.88
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate 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

4-ethyl-2-(4-hydroxybutyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;dihydrochloride
CID 171687125
4-ethyl-5-[(3R)-piperidin-3-yl]-2-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 95218629
4-ethyl-5-[(3R)-piperidin-3-yl]-2-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-one
CID 95199763
4-ethyl-2-[(E)-3-phenylprop-2-enyl]-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95230693
2-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-5-piperidin-3-yl-1,2,4-triazol-3-one;dihydrochloride
CID 154887362
2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-ethyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95199392
7-[(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56707452
N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115333
4-ethyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95212980
4-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
CID 154890069
4-ethyl-2-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
CID 56715911
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3S)-1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95217424

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate?
The IUPAC name of methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate (CID 95202309) is methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate.
What is the SMILES notation for methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate?
The canonical SMILES for methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate is CCn1c([C@@H]2CCCNC2)nn(CCCCC(=O)OC)c1=O.
What is the InChIKey of methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate?
The InChIKey is DGSOLGCPNDBNFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-18-14(12-7-6-9-16-11-12)17-19(15(18)21)10-5-4-8-13(20)22-2/h12,16H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate?
methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate has a molecular weight of 310.40 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-ethyl-5-oxo-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]pentanoate is sourced from PubChem (CID 95202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).