3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide

C18H34N2O2 — CID 134847640

IUPAC3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)C(C(=O)NC(C)(C)CC(C)(C)C)N1CCCCC1=O
InChIInChI=1S/C18H34N2O2/c1-13(2)15(20-11-9-8-10-14(20)21)16(22)19-18(6,7)12-17(3,4)5/h13,15H,8-12H2,1-7H3,(H,19,22)
InChIKeyVFVXWSSHQHUYRJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.35
Rot. Bonds5

About 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide

3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 134847640) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID134847640
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)C(C(=O)NC(C)(C)CC(C)(C)C)N1CCCCC1=O
InChIInChI=1S/C18H34N2O2/c1-13(2)15(20-11-9-8-10-14(20)21)16(22)19-18(6,7)12-17(3,4)5/h13,15H,8-12H2,1-7H3,(H,19,22)
InChIKeyVFVXWSSHQHUYRJ-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 134847640) is 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)C(C(=O)NC(C)(C)CC(C)(C)C)N1CCCCC1=O.
What is the InChIKey of 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is VFVXWSSHQHUYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(2)15(20-11-9-8-10-14(20)21)16(22)19-18(6,7)12-17(3,4)5/h13,15H,8-12H2,1-7H3,(H,19,22).
What are the key properties of 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 310.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxopiperidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 134847640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).