4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione

C16H29NO2 — CID 79320763

IUPAC4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione
SMILESCCCCCCCC1(C)CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C16H29NO2/c1-5-6-7-8-9-10-16(4)11-13(18)17-15(19)14(16)12(2)3/h12,14H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyFPQUXKPPQGJVTB-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.67
Rot. Bonds7

About 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione

4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79320763) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79320763
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione
SMILESCCCCCCCC1(C)CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C16H29NO2/c1-5-6-7-8-9-10-16(4)11-13(18)17-15(19)14(16)12(2)3/h12,14H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyFPQUXKPPQGJVTB-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione
CID 80558885
4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
CID 80558882
4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione
CID 114867248
4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
CID 79318435
4-methyl-3,4-dipropylpiperidine-2,6-dione
CID 79317576
3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
CID 139791197
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine]-2',6'-dione
CID 79320467
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 67077287
3-heptadecan-3-ylpyrrolidine-2,5-dione
CID 69050802

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione (CID 79320763) is 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione is CCCCCCCC1(C)CC(=O)NC(=O)C1C(C)C.
What is the InChIKey of 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is FPQUXKPPQGJVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-6-7-8-9-10-16(4)11-13(18)17-15(19)14(16)12(2)3/h12,14H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 267.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79320763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).