(2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide

C16H27N3O3 — CID 13312558

IUPAC(2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCCCC1
InChIInChI=1S/C16H27N3O3/c1-11(2)10-13(16(22)19-8-4-3-5-9-19)18-15(21)12-6-7-14(20)17-12/h11-13H,3-10H2,1-2H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyKAGCLGOKYJPFPT-STQMWFEESA-N
MW309.41 g/mol
LogP0.81
Rot. Bonds5

About (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 13312558) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID13312558
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCCCC1
InChIInChI=1S/C16H27N3O3/c1-11(2)10-13(16(22)19-8-4-3-5-9-19)18-15(21)12-6-7-14(20)17-12/h11-13H,3-10H2,1-2H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyKAGCLGOKYJPFPT-STQMWFEESA-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

Analyze (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 13312558) is (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KAGCLGOKYJPFPT-STQMWFEESA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(2)10-13(16(22)19-8-4-3-5-9-19)18-15(21)12-6-7-14(20)17-12/h11-13H,3-10H2,1-2H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-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 (2S)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 13312558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).