N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide

C16H27N3O3 — CID 110820091

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H27N3O3/c1-3-11(4-2)16(22)19-9-7-12(8-10-19)17-15(21)13-5-6-14(20)18-13/h11-13H,3-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyDEHSJFQJVDKMBQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.81
Rot. Bonds5

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110820091) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110820091
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H27N3O3/c1-3-11(4-2)16(22)19-9-7-12(8-10-19)17-15(21)13-5-6-14(20)18-13/h11-13H,3-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyDEHSJFQJVDKMBQ-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide (CID 110820091) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide is CCC(CC)C(=O)N1CCC(NC(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DEHSJFQJVDKMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-11(4-2)16(22)19-9-7-12(8-10-19)17-15(21)13-5-6-14(20)18-13/h11-13H,3-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110820091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).