2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

C19H24N2O2 — CID 14547373

IUPAC2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
SMILESO=C(C1CCCC1)N1CC(=O)N2CCCc3ccccc3C2C1
InChIInChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-1-2-8-15)12-17-16-10-4-3-6-14(16)9-5-11-21(17)18/h3-4,6,10,15,17H,1-2,5,7-9,11-13H2
InChIKeyKDZCMFYUUWRAEC-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.53
Rot. Bonds1

About 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one (PubChem CID 14547373) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.

Molecular Properties

Compound Name2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
PubChem CID14547373
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
SMILESO=C(C1CCCC1)N1CC(=O)N2CCCc3ccccc3C2C1
InChIInChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-1-2-8-15)12-17-16-10-4-3-6-14(16)9-5-11-21(17)18/h3-4,6,10,15,17H,1-2,5,7-9,11-13H2
InChIKeyKDZCMFYUUWRAEC-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The IUPAC name of 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one (CID 14547373) is 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.
What is the SMILES notation for 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The canonical SMILES for 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one is O=C(C1CCCC1)N1CC(=O)N2CCCc3ccccc3C2C1.
What is the InChIKey of 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The InChIKey is KDZCMFYUUWRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-1-2-8-15)12-17-16-10-4-3-6-14(16)9-5-11-21(17)18/h3-4,6,10,15,17H,1-2,5,7-9,11-13H2.
What are the key properties of 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one has a molecular weight of 312.41 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one is sourced from PubChem (CID 14547373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).