2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide

C22H33N5O3 — CID 170042265

IUPAC2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
SMILESCCCN1C[C@@H](C)N(CC(=O)Nc2cccc(N[C@H]3CCC(=O)NC3=O)c2)[C@@H](C)C1
InChIInChI=1S/C22H33N5O3/c1-4-10-26-12-15(2)27(16(3)13-26)14-21(29)24-18-7-5-6-17(11-18)23-19-8-9-20(28)25-22(19)30/h5-7,11,15-16,19,23H,4,8-10,12-14H2,1-3H3,(H,24,29)(H,25,28,30)/t15-,16+,19-/m0/s1
InChIKeyQOMSCZRWQAJTEC-FCEWJHQRSA-N
MW415.54 g/mol
LogP1.65
Rot. Bonds7

About 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide

2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide (PubChem CID 170042265) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
PubChem CID170042265
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
SMILESCCCN1C[C@@H](C)N(CC(=O)Nc2cccc(N[C@H]3CCC(=O)NC3=O)c2)[C@@H](C)C1
InChIInChI=1S/C22H33N5O3/c1-4-10-26-12-15(2)27(16(3)13-26)14-21(29)24-18-7-5-6-17(11-18)23-19-8-9-20(28)25-22(19)30/h5-7,11,15-16,19,23H,4,8-10,12-14H2,1-3H3,(H,24,29)(H,25,28,30)/t15-,16+,19-/m0/s1
InChIKeyQOMSCZRWQAJTEC-FCEWJHQRSA-N
XLogP1.65
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide
CID 167071320
2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
CID 167528346
2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 167528333
(3R)-4-[2-[3-[(2,6-dioxopiperidin-3-yl)amino]anilino]-2-oxoethyl]-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 175394761
2-[(2S,6R)-4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162510380
2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide;hydrochloride
CID 167528376
tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166553640
2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
CID 166553748
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanyl-1,3-diazaspiro[4.4]nonan-1-yl]-2-cyclopropylphenoxy]ethyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 176903321
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide (CID 170042265) is 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide is CCCN1C[C@@H](C)N(CC(=O)Nc2cccc(N[C@H]3CCC(=O)NC3=O)c2)[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide?
The InChIKey is QOMSCZRWQAJTEC-FCEWJHQRSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-4-10-26-12-15(2)27(16(3)13-26)14-21(29)24-18-7-5-6-17(11-18)23-19-8-9-20(28)25-22(19)30/h5-7,11,15-16,19,23H,4,8-10,12-14H2,1-3H3,(H,24,29)(H,25,28,30)/t15-,16+,19-/m0/s1.
What are the key properties of 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide?
2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 170042265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).