2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide

C17H27N3O2 — CID 51262346

IUPAC2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)C2CC3CCC2C3)CC1)NC1CC1
InChIInChI=1S/C17H27N3O2/c21-16(18-14-3-4-14)11-19-5-7-20(8-6-19)17(22)15-10-12-1-2-13(15)9-12/h12-15H,1-11H2,(H,18,21)
InChIKeyKPPXTAGOINNKLN-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.85
Rot. Bonds4

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

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 51262346) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID51262346
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)C2CC3CCC2C3)CC1)NC1CC1
InChIInChI=1S/C17H27N3O2/c21-16(18-14-3-4-14)11-19-5-7-20(8-6-19)17(22)15-10-12-1-2-13(15)9-12/h12-15H,1-11H2,(H,18,21)
InChIKeyKPPXTAGOINNKLN-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 51262346) is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)C2CC3CCC2C3)CC1)NC1CC1.
What is the InChIKey of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is KPPXTAGOINNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-16(18-14-3-4-14)11-19-5-7-20(8-6-19)17(22)15-10-12-1-2-13(15)9-12/h12-15H,1-11H2,(H,18,21).
What are the key properties of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 305.42 g/mol, XLogP of 0.85, 4 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]-N-cyclopropylacetamide is sourced from PubChem (CID 51262346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).