2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide

C18H33N3O2 — CID 70609594

IUPAC2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CCCNC(=O)CN1C(=O)CCC1(C)C
InChIInChI=1S/C18H33N3O2/c1-14-7-5-8-15(2)20(14)12-6-11-19-16(22)13-21-17(23)9-10-18(21,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15+
InChIKeyNUHCYPSRYYLATE-GASCZTMLSA-N
MW323.48 g/mol
LogP2.16
Rot. Bonds6

About 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide

2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide (PubChem CID 70609594) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide
PubChem CID70609594
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CCCNC(=O)CN1C(=O)CCC1(C)C
InChIInChI=1S/C18H33N3O2/c1-14-7-5-8-15(2)20(14)12-6-11-19-16(22)13-21-17(23)9-10-18(21,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15+
InChIKeyNUHCYPSRYYLATE-GASCZTMLSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide (CID 70609594) is 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide is C[C@@H]1CCC[C@H](C)N1CCCNC(=O)CN1C(=O)CCC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide?
The InChIKey is NUHCYPSRYYLATE-GASCZTMLSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14-7-5-8-15(2)20(14)12-6-11-19-16(22)13-21-17(23)9-10-18(21,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15+.
What are the key properties of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide?
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide has a molecular weight of 323.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 70609594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).