3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione

C24H36N2O2 — CID 177364377

IUPAC3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione
SMILESCCc1cc(C2CCC(=O)NC2=O)ccc1CC(C)C(C)CC1CCNCC1
InChIInChI=1S/C24H36N2O2/c1-4-19-15-21(22-7-8-23(27)26-24(22)28)6-5-20(19)14-17(3)16(2)13-18-9-11-25-12-10-18/h5-6,15-18,22,25H,4,7-14H2,1-3H3,(H,26,27,28)
InChIKeyOLYWTRSDGNGKJR-UHFFFAOYSA-N
MW384.56 g/mol
LogP3.97
Rot. Bonds7

About 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione

3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione (PubChem CID 177364377) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione
PubChem CID177364377
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione
SMILESCCc1cc(C2CCC(=O)NC2=O)ccc1CC(C)C(C)CC1CCNCC1
InChIInChI=1S/C24H36N2O2/c1-4-19-15-21(22-7-8-23(27)26-24(22)28)6-5-20(19)14-17(3)16(2)13-18-9-11-25-12-10-18/h5-6,15-18,22,25H,4,7-14H2,1-3H3,(H,26,27,28)
InChIKeyOLYWTRSDGNGKJR-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 167071473
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
CID 166113557
3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione
CID 172604718
3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione
CID 167190606

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione (CID 177364377) is 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione is CCc1cc(C2CCC(=O)NC2=O)ccc1CC(C)C(C)CC1CCNCC1.
What is the InChIKey of 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione?
The InChIKey is OLYWTRSDGNGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-19-15-21(22-7-8-23(27)26-24(22)28)6-5-20(19)14-17(3)16(2)13-18-9-11-25-12-10-18/h5-6,15-18,22,25H,4,7-14H2,1-3H3,(H,26,27,28).
What are the key properties of 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione?
3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione has a molecular weight of 384.56 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione is sourced from PubChem (CID 177364377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).