4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione

C16H29NO2 — CID 114867248

IUPAC4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)CC1(CC(C)C)CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C16H29NO2/c1-10(2)7-16(8-11(3)4)9-13(18)17-15(19)14(16)12(5)6/h10-12,14H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyLRYZTRJKLJQRAA-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.38
Rot. Bonds5

About 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione

4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 114867248) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID114867248
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)CC1(CC(C)C)CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C16H29NO2/c1-10(2)7-16(8-11(3)4)9-13(18)17-15(19)14(16)12(5)6/h10-12,14H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyLRYZTRJKLJQRAA-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione (CID 114867248) is 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione is CC(C)CC1(CC(C)C)CC(=O)NC(=O)C1C(C)C.
What is the InChIKey of 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is LRYZTRJKLJQRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-10(2)7-16(8-11(3)4)9-13(18)17-15(19)14(16)12(5)6/h10-12,14H,7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione?
4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 267.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 114867248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).