(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone

C24H25N5O — CID 166300354

IUPAC(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone
SMILESNC1CCCN(C(=O)c2cnc(N3Cc4ccccc4-c4ccccc4C3)cn2)C1
InChIInChI=1S/C24H25N5O/c25-19-8-5-11-28(16-19)24(30)22-12-27-23(13-26-22)29-14-17-6-1-3-9-20(17)21-10-4-2-7-18(21)15-29/h1-4,6-7,9-10,12-13,19H,5,8,11,14-16,25H2
InChIKeyNNZJHFPXWVAZPO-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.23
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone

(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone (PubChem CID 166300354) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone
PubChem CID166300354
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone
SMILESNC1CCCN(C(=O)c2cnc(N3Cc4ccccc4-c4ccccc4C3)cn2)C1
InChIInChI=1S/C24H25N5O/c25-19-8-5-11-28(16-19)24(30)22-12-27-23(13-26-22)29-14-17-6-1-3-9-20(17)21-10-4-2-7-18(21)15-29/h1-4,6-7,9-10,12-13,19H,5,8,11,14-16,25H2
InChIKeyNNZJHFPXWVAZPO-UHFFFAOYSA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone (CID 166300354) is (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone is NC1CCCN(C(=O)c2cnc(N3Cc4ccccc4-c4ccccc4C3)cn2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone?
The InChIKey is NNZJHFPXWVAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c25-19-8-5-11-28(16-19)24(30)22-12-27-23(13-26-22)29-14-17-6-1-3-9-20(17)21-10-4-2-7-18(21)15-29/h1-4,6-7,9-10,12-13,19H,5,8,11,14-16,25H2.
What are the key properties of (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone?
(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 166300354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).