2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C18H29N3O3 — CID 51305707

IUPAC2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C18H29N3O3/c1-12(2)19-17(23)18(24)21-7-5-20(6-8-21)16(22)11-15-10-13-3-4-14(15)9-13/h12-15H,3-11H2,1-2H3,(H,19,23)
InChIKeyYFMASMVPQGTZQD-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.01
Rot. Bonds3

About 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 51305707) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID51305707
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C18H29N3O3/c1-12(2)19-17(23)18(24)21-7-5-20(6-8-21)16(22)11-15-10-13-3-4-14(15)9-13/h12-15H,3-11H2,1-2H3,(H,19,23)
InChIKeyYFMASMVPQGTZQD-UHFFFAOYSA-N
XLogP1.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 51305707) is 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is YFMASMVPQGTZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)19-17(23)18(24)21-7-5-20(6-8-21)16(22)11-15-10-13-3-4-14(15)9-13/h12-15H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 335.45 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 51305707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).