4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid

C17H23N3O4 — CID 122027113

IUPAC4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1C(=O)NCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H23N3O4/c1-12-16(23)18-9-10-20(12)17(24)19-14(7-8-15(21)22)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,18,23)(H,19,24)(H,21,22)
InChIKeyKJEZQZDQIZFUTI-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.99
Rot. Bonds6

About 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid

4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122027113) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122027113
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1C(=O)NCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H23N3O4/c1-12-16(23)18-9-10-20(12)17(24)19-14(7-8-15(21)22)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,18,23)(H,19,24)(H,21,22)
InChIKeyKJEZQZDQIZFUTI-UHFFFAOYSA-N
XLogP0.99
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028386
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid (CID 122027113) is 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid is CC1C(=O)NCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is KJEZQZDQIZFUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-16(23)18-9-10-20(12)17(24)19-14(7-8-15(21)22)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,18,23)(H,19,24)(H,21,22).
What are the key properties of 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid?
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 333.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).