(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide

C13H23N3O2 — CID 99727906

IUPAC(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C13H23N3O2/c1-9(2)15-13(18)11-3-4-12(17)16(11)10-5-7-14-8-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyQZBLQOAMVZBGPA-NSHDSACASA-N
MW253.35 g/mol
LogP0.25
Rot. Bonds3

About (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 99727906) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID99727906
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C13H23N3O2/c1-9(2)15-13(18)11-3-4-12(17)16(11)10-5-7-14-8-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyQZBLQOAMVZBGPA-NSHDSACASA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 99727906) is (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CCC(=O)N1C1CCNCC1.
What is the InChIKey of (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QZBLQOAMVZBGPA-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)15-13(18)11-3-4-12(17)16(11)10-5-7-14-8-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 99727906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).