N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide

C15H27N3O3 — CID 3069833

IUPACN-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CCNC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C15H27N3O3/c1-11-4-3-5-12(2)18(11)9-7-16-14(20)10-17-8-6-13(19)15(17)21/h11-13,19H,3-10H2,1-2H3,(H,16,20)/t11-,12+,13?
InChIKeyUMOQIAXCDTUOIO-FUNVUKJBSA-N
MW297.40 g/mol
LogP-0.04
Rot. Bonds5

About N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide

N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 3069833) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide
PubChem CID3069833
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CCNC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C15H27N3O3/c1-11-4-3-5-12(2)18(11)9-7-16-14(20)10-17-8-6-13(19)15(17)21/h11-13,19H,3-10H2,1-2H3,(H,16,20)/t11-,12+,13?
InChIKeyUMOQIAXCDTUOIO-FUNVUKJBSA-N
XLogP-0.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide (CID 3069833) is N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide is C[C@@H]1CCC[C@H](C)N1CCNC(=O)CN1CCC(O)C1=O.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is UMOQIAXCDTUOIO-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-4-3-5-12(2)18(11)9-7-16-14(20)10-17-8-6-13(19)15(17)21/h11-13,19H,3-10H2,1-2H3,(H,16,20)/t11-,12+,13?.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 297.40 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 3069833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).