4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione

C19H27NO2 — CID 3028442

IUPAC4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione
SMILESCCCCCC1(C)CC(=O)N(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C19H27NO2/c1-3-4-8-12-19(2)14-17(21)20(18(22)15-19)13-11-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKeyQUWIUUCBKFWKNT-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.96
Rot. Bonds7

About 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione

4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione (PubChem CID 3028442) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione
PubChem CID3028442
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione
SMILESCCCCCC1(C)CC(=O)N(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C19H27NO2/c1-3-4-8-12-19(2)14-17(21)20(18(22)15-19)13-11-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKeyQUWIUUCBKFWKNT-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 10514518
4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione
CID 125485057
(1R,5S,6R)-1-methyl-5-pentyl-6-(2-phenylethyl)bicyclo[3.1.0]hexan-3-one
CID 135005717
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
4-benzyl-1-butylpiperazine-2,6-dione
CID 58822020
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395
2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 97407980
5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione
CID 167969844
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione?
The IUPAC name of 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione (CID 3028442) is 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione?
The canonical SMILES for 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione is CCCCCC1(C)CC(=O)N(CCc2ccccc2)C(=O)C1.
What is the InChIKey of 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione?
The InChIKey is QUWIUUCBKFWKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-4-8-12-19(2)14-17(21)20(18(22)15-19)13-11-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3.
What are the key properties of 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione?
4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione has a molecular weight of 301.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione is sourced from PubChem (CID 3028442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).