2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide

C19H27BrN4O3 — CID 166553748

IUPAC2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
SMILESBr.C[C@@H]1CNC[C@H](C)N1CC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C19H26N4O3.BrH/c1-12-9-20-10-13(2)23(12)11-18(25)21-15-5-3-4-14(8-15)16-6-7-17(24)22-19(16)26;/h3-5,8,12-13,16,20H,6-7,9-11H2,1-2H3,(H,21,25)(H,22,24,26);1H/t12-,13+,16?;
InChIKeyMYEXKXGPPHVKGW-VDZMBQAVSA-N
MW439.35 g/mol
LogP1.41
Rot. Bonds4

About 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide

2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide (PubChem CID 166553748) has the molecular formula C19H27BrN4O3 and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
PubChem CID166553748
Molecular FormulaC19H27BrN4O3
Molecular Weight439.35 g/mol
Exact Mass438.13
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
SMILESBr.C[C@@H]1CNC[C@H](C)N1CC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C19H26N4O3.BrH/c1-12-9-20-10-13(2)23(12)11-18(25)21-15-5-3-4-14(8-15)16-6-7-17(24)22-19(16)26;/h3-5,8,12-13,16,20H,6-7,9-11H2,1-2H3,(H,21,25)(H,22,24,26);1H/t12-,13+,16?;
InChIKeyMYEXKXGPPHVKGW-VDZMBQAVSA-N
XLogP1.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166553640
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
CID 164540922
2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
CID 170042265
tert-butyl N-[5-[3-(2,6-dioxopiperidin-3-yl)anilino]pentyl]carbamate
CID 164540949
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
CID 171406891
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane
CID 170737766
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 166553665
CID 177052361
CID 177052361
tert-butyl 6-[3-(2,7-dioxoazepan-3-yl)anilino]hexanoate
CID 175638791
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide (CID 166553748) is 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide is Br.C[C@@H]1CNC[C@H](C)N1CC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide?
The InChIKey is MYEXKXGPPHVKGW-VDZMBQAVSA-N. The full InChI is InChI=1S/C19H26N4O3.BrH/c1-12-9-20-10-13(2)23(12)11-18(25)21-15-5-3-4-14(8-15)16-6-7-17(24)22-19(16)26;/h3-5,8,12-13,16,20H,6-7,9-11H2,1-2H3,(H,21,25)(H,22,24,26);1H/t12-,13+,16?;.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide?
2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide has a molecular weight of 439.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide is sourced from PubChem (CID 166553748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).