2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide

C19H31N3O2 — CID 51329145

IUPAC2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C19H31N3O2/c1-13(19(24)20-17-4-5-17)21-6-8-22(9-7-21)18(23)12-16-11-14-2-3-15(16)10-14/h13-17H,2-12H2,1H3,(H,20,24)
InChIKeyCIDZZCGOOOAFQZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.62
Rot. Bonds5

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

2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 51329145) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID51329145
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C19H31N3O2/c1-13(19(24)20-17-4-5-17)21-6-8-22(9-7-21)18(23)12-16-11-14-2-3-15(16)10-14/h13-17H,2-12H2,1H3,(H,20,24)
InChIKeyCIDZZCGOOOAFQZ-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 51329145) is 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is CIDZZCGOOOAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(19(24)20-17-4-5-17)21-6-8-22(9-7-21)18(23)12-16-11-14-2-3-15(16)10-14/h13-17H,2-12H2,1H3,(H,20,24).
What are the key properties of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 1.62, 5 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]-N-cyclopropylpropanamide is sourced from PubChem (CID 51329145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).