2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide

C13H25N3O2 — CID 63662471

IUPAC2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCC(=O)NC1
InChIInChI=1S/C13H25N3O2/c1-4-10(5-2)16-13(18)9(3)15-11-6-7-12(17)14-8-11/h9-11,15H,4-8H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyJHEFVXGACNAUNM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds6

About 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide

2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide (PubChem CID 63662471) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
PubChem CID63662471
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCC(=O)NC1
InChIInChI=1S/C13H25N3O2/c1-4-10(5-2)16-13(18)9(3)15-11-6-7-12(17)14-8-11/h9-11,15H,4-8H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyJHEFVXGACNAUNM-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide (CID 63662471) is 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1CCC(=O)NC1.
What is the InChIKey of 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is JHEFVXGACNAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-10(5-2)16-13(18)9(3)15-11-6-7-12(17)14-8-11/h9-11,15H,4-8H2,1-3H3,(H,14,17)(H,16,18).
What are the key properties of 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide?
2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63662471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).