1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide

C21H28N4O4 — CID 175658819

IUPAC1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CCN1C(=O)CCCC1=O
InChIInChI=1S/C21H28N4O4/c22-21(29)17-15-23(11-9-16-5-2-1-3-6-16)13-14-24(17)20(28)10-12-25-18(26)7-4-8-19(25)27/h1-3,5-6,17H,4,7-15H2,(H2,22,29)
InChIKeyKQUQRRYBDOQVBL-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.16
Rot. Bonds7

About 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide

1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 175658819) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID175658819
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CCN1C(=O)CCCC1=O
InChIInChI=1S/C21H28N4O4/c22-21(29)17-15-23(11-9-16-5-2-1-3-6-16)13-14-24(17)20(28)10-12-25-18(26)7-4-8-19(25)27/h1-3,5-6,17H,4,7-15H2,(H2,22,29)
InChIKeyKQUQRRYBDOQVBL-UHFFFAOYSA-N
XLogP0.16
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.16
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

(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 175658374
(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 129458897
(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide
CID 124958127
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide (CID 175658819) is 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide is NC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CCN1C(=O)CCCC1=O.
What is the InChIKey of 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is KQUQRRYBDOQVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c22-21(29)17-15-23(11-9-16-5-2-1-3-6-16)13-14-24(17)20(28)10-12-25-18(26)7-4-8-19(25)27/h1-3,5-6,17H,4,7-15H2,(H2,22,29).
What are the key properties of 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 175658819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).