4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid

C23H33N3O3 — CID 122027741

IUPAC4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C23H33N3O3/c27-22(28)9-8-20(15-17-4-2-1-3-5-17)24-23(29)26-12-10-25(11-13-26)21-16-18-6-7-19(21)14-18/h1-5,18-21H,6-16H2,(H,24,29)(H,27,28)
InChIKeyHWSPEHJQRURQDW-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.98
Rot. Bonds7

About 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027741) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027741
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C23H33N3O3/c27-22(28)9-8-20(15-17-4-2-1-3-5-17)24-23(29)26-12-10-25(11-13-26)21-16-18-6-7-19(21)14-18/h1-5,18-21H,6-16H2,(H,24,29)(H,27,28)
InChIKeyHWSPEHJQRURQDW-UHFFFAOYSA-N
XLogP2.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic 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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028199
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
5-phenyl-4-[[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028325
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122027741) is 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is HWSPEHJQRURQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-22(28)9-8-20(15-17-4-2-1-3-5-17)24-23(29)26-12-10-25(11-13-26)21-16-18-6-7-19(21)14-18/h1-5,18-21H,6-16H2,(H,24,29)(H,27,28).
What are the key properties of 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 399.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).