4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid

C13H21N5O3 — CID 63284811

IUPAC4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H21N5O3/c1-17(8-2-3-12(19)20)13(21)11-9-18(16-15-11)10-4-6-14-7-5-10/h9-10,14H,2-8H2,1H3,(H,19,20)
InChIKeyJSYZTLRMMFZTTL-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.14
Rot. Bonds6

About 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid

4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid (PubChem CID 63284811) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
PubChem CID63284811
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H21N5O3/c1-17(8-2-3-12(19)20)13(21)11-9-18(16-15-11)10-4-6-14-7-5-10/h9-10,14H,2-8H2,1H3,(H,19,20)
InChIKeyJSYZTLRMMFZTTL-UHFFFAOYSA-N
XLogP0.14
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid 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

N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 64518073
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119683686
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119695557
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid (CID 63284811) is 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid?
The InChIKey is JSYZTLRMMFZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-17(8-2-3-12(19)20)13(21)11-9-18(16-15-11)10-4-6-14-7-5-10/h9-10,14H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid?
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63284811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).