2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid

C20H27N3O4 — CID 69499695

IUPAC2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCN(CCCN2C(=O)CCCC2=O)CC1
InChIInChI=1S/C20H27N3O4/c24-17-8-4-9-18(25)23(17)11-5-10-21-12-14-22(15-13-21)19(20(26)27)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2,(H,26,27)
InChIKeyJICOWHZKSSWHBS-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.36
Rot. Bonds7

About 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid

2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid (PubChem CID 69499695) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid
PubChem CID69499695
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCN(CCCN2C(=O)CCCC2=O)CC1
InChIInChI=1S/C20H27N3O4/c24-17-8-4-9-18(25)23(17)11-5-10-21-12-14-22(15-13-21)19(20(26)27)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2,(H,26,27)
InChIKeyJICOWHZKSSWHBS-UHFFFAOYSA-N
XLogP1.36
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]indole-2,3-dione
CID 20502497
2-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 70443429
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
CID 91333736
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
1-[3-[4-(2-hydroxy-6-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10249759
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-phenylacetic acid
CID 146128266
(2R)-2-[4-oxo-8-[3-(2-oxo-3H-indol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-2-phenylacetic acid
CID 58046680
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid?
The IUPAC name of 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid (CID 69499695) is 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCN(CCCN2C(=O)CCCC2=O)CC1.
What is the InChIKey of 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid?
The InChIKey is JICOWHZKSSWHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-17-8-4-9-18(25)23(17)11-5-10-21-12-14-22(15-13-21)19(20(26)27)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2,(H,26,27).
What are the key properties of 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid?
2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid has a molecular weight of 373.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 69499695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).