3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one

C19H24N4O2 — CID 53131481

IUPAC3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C19H24N4O2/c1-2-9-23-16-6-4-3-5-15(16)20-17(19(23)25)21-10-12-22(13-11-21)18(24)14-7-8-14/h3-6,14H,2,7-13H2,1H3
InChIKeyCAJJRZHRRXTHIP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.87
Rot. Bonds4

About 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53131481) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53131481
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C19H24N4O2/c1-2-9-23-16-6-4-3-5-15(16)20-17(19(23)25)21-10-12-22(13-11-21)18(24)14-7-8-14/h3-6,14H,2,7-13H2,1H3
InChIKeyCAJJRZHRRXTHIP-UHFFFAOYSA-N
XLogP1.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53131481) is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)C3CC3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is CAJJRZHRRXTHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-9-23-16-6-4-3-5-15(16)20-17(19(23)25)21-10-12-22(13-11-21)18(24)14-7-8-14/h3-6,14H,2,7-13H2,1H3.
What are the key properties of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53131481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).