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

C17H27N3O3 — CID 51279134

IUPAC2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H27N3O3/c1-11(2)18-15(21)17(23)20-7-5-19(6-8-20)16(22)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3,(H,18,21)
InChIKeyQQCGPWYLQXXZBL-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.62
Rot. Bonds2

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

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 51279134) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID51279134
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H27N3O3/c1-11(2)18-15(21)17(23)20-7-5-19(6-8-20)16(22)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3,(H,18,21)
InChIKeyQQCGPWYLQXXZBL-UHFFFAOYSA-N
XLogP0.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.62
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-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 51279134) is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is QQCGPWYLQXXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11(2)18-15(21)17(23)20-7-5-19(6-8-20)16(22)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 321.42 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 51279134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).