2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid

C17H23N3O4 — CID 70619630

IUPAC2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCCCCN1CCN(C(=O)NC(C(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O4/c1-2-3-9-19-10-11-20(12-14(19)21)17(24)18-15(16(22)23)13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3,(H,18,24)(H,22,23)
InChIKeyZVVPDHKTDIHEPQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.47
Rot. Bonds6

About 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid

2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 70619630) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID70619630
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCCCCN1CCN(C(=O)NC(C(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O4/c1-2-3-9-19-10-11-20(12-14(19)21)17(24)18-15(16(22)23)13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3,(H,18,24)(H,22,23)
InChIKeyZVVPDHKTDIHEPQ-UHFFFAOYSA-N
XLogP1.47
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 126429089
2-[(4-hexyl-2-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70620389
1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 56709063
1-butyl-4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 95211094
(2R)-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
CID 106315869
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
CID 56754721
2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
1-butyl-4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 72871012
1-butyl-4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 97123892
(2S)-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 104899074
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 125447213

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid (CID 70619630) is 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid is CCCCN1CCN(C(=O)NC(C(=O)O)c2ccccc2)CC1=O.
What is the InChIKey of 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is ZVVPDHKTDIHEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-3-9-19-10-11-20(12-14(19)21)17(24)18-15(16(22)23)13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid?
2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 333.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 70619630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).