2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide

C17H33N3O2 — CID 71927682

IUPAC2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC1CCN(C(C)=O)CC1CC
InChIInChI=1S/C17H33N3O2/c1-6-8-12(3)18-17(22)13(4)19-16-9-10-20(14(5)21)11-15(16)7-2/h12-13,15-16,19H,6-11H2,1-5H3,(H,18,22)
InChIKeyIVGZKAKJXRBRIA-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.92
Rot. Bonds7

About 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide

2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide (PubChem CID 71927682) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide
PubChem CID71927682
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC1CCN(C(C)=O)CC1CC
InChIInChI=1S/C17H33N3O2/c1-6-8-12(3)18-17(22)13(4)19-16-9-10-20(14(5)21)11-15(16)7-2/h12-13,15-16,19H,6-11H2,1-5H3,(H,18,22)
InChIKeyIVGZKAKJXRBRIA-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide (CID 71927682) is 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NC1CCN(C(C)=O)CC1CC.
What is the InChIKey of 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is IVGZKAKJXRBRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-8-12(3)18-17(22)13(4)19-16-9-10-20(14(5)21)11-15(16)7-2/h12-13,15-16,19H,6-11H2,1-5H3,(H,18,22).
What are the key properties of 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide?
2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 71927682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).