4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

C20H27N5O3 — CID 122027266

IUPAC4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCn1cnnc1C1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O3/c1-24-14-21-23-19(24)16-9-11-25(12-10-16)20(28)22-17(7-8-18(26)27)13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,22,28)(H,26,27)
InChIKeyNYGNQXOHPRXZJW-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.18
Rot. Bonds7

About 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027266) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027266
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCn1cnnc1C1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O3/c1-24-14-21-23-19(24)16-9-11-25(12-10-16)20(28)22-17(7-8-18(26)27)13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,22,28)(H,26,27)
InChIKeyNYGNQXOHPRXZJW-UHFFFAOYSA-N
XLogP2.18
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028199
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
5-phenyl-4-[[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028325
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
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028268
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
CID 122027724

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122027266) is 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is Cn1cnnc1C1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1.
What is the InChIKey of 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is NYGNQXOHPRXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-24-14-21-23-19(24)16-9-11-25(12-10-16)20(28)22-17(7-8-18(26)27)13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,22,28)(H,26,27).
What are the key properties of 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 385.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).