2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide

C18H33N3O3 — CID 24719467

IUPAC2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide
SMILESCCC(=O)N1CCC(C(NC(=O)C(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-6-15(22)21-9-7-14(8-10-21)16(20-17(23)13(4)5)18(24)19-11-12(2)3/h12-14,16H,6-11H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyUFKFAESSSUOFOD-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.55
Rot. Bonds7

About 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide

2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide (PubChem CID 24719467) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide
PubChem CID24719467
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide
SMILESCCC(=O)N1CCC(C(NC(=O)C(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-6-15(22)21-9-7-14(8-10-21)16(20-17(23)13(4)5)18(24)19-11-12(2)3/h12-14,16H,6-11H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyUFKFAESSSUOFOD-UHFFFAOYSA-N
XLogP1.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide (CID 24719467) is 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide is CCC(=O)N1CCC(C(NC(=O)C(C)C)C(=O)NCC(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is UFKFAESSSUOFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-6-15(22)21-9-7-14(8-10-21)16(20-17(23)13(4)5)18(24)19-11-12(2)3/h12-14,16H,6-11H2,1-5H3,(H,19,24)(H,20,23).
What are the key properties of 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide?
2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 339.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 24719467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).