5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid

C20H27N5O3 — CID 122028268

IUPAC5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C20H27N5O3/c26-19(27)7-6-18(14-16-4-2-1-3-5-16)22-20(28)24-11-8-17(9-12-24)15-25-13-10-21-23-25/h1-5,10,13,17-18H,6-9,11-12,14-15H2,(H,22,28)(H,26,27)
InChIKeyLJSFCADTEPXMBE-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.18
Rot. Bonds8

About 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid

5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 122028268) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID122028268
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C20H27N5O3/c26-19(27)7-6-18(14-16-4-2-1-3-5-16)22-20(28)24-11-8-17(9-12-24)15-25-13-10-21-23-25/h1-5,10,13,17-18H,6-9,11-12,14-15H2,(H,22,28)(H,26,27)
InChIKeyLJSFCADTEPXMBE-UHFFFAOYSA-N
XLogP2.18
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic 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

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028325
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028199
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 122028268) is 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(Cn2ccnn2)CC1.
What is the InChIKey of 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is LJSFCADTEPXMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-19(27)7-6-18(14-16-4-2-1-3-5-16)22-20(28)24-11-8-17(9-12-24)15-25-13-10-21-23-25/h1-5,10,13,17-18H,6-9,11-12,14-15H2,(H,22,28)(H,26,27).
What are the key properties of 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid?
5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 385.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 122028268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).