1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C19H28N4O — CID 70731941

IUPAC1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESNC1CCC(CN2CCC3(CC2)Nc2ccccc2NC3=O)CC1
InChIInChI=1S/C19H28N4O/c20-15-7-5-14(6-8-15)13-23-11-9-19(10-12-23)18(24)21-16-3-1-2-4-17(16)22-19/h1-4,14-15,22H,5-13,20H2,(H,21,24)
InChIKeyMOUMEBSPSXYCMX-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.40
Rot. Bonds2

About 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70731941) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70731941
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESNC1CCC(CN2CCC3(CC2)Nc2ccccc2NC3=O)CC1
InChIInChI=1S/C19H28N4O/c20-15-7-5-14(6-8-15)13-23-11-9-19(10-12-23)18(24)21-16-3-1-2-4-17(16)22-19/h1-4,14-15,22H,5-13,20H2,(H,21,24)
InChIKeyMOUMEBSPSXYCMX-UHFFFAOYSA-N
XLogP2.40
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one 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 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70731941) is 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is NC1CCC(CN2CCC3(CC2)Nc2ccccc2NC3=O)CC1.
What is the InChIKey of 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is MOUMEBSPSXYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c20-15-7-5-14(6-8-15)13-23-11-9-19(10-12-23)18(24)21-16-3-1-2-4-17(16)22-19/h1-4,14-15,22H,5-13,20H2,(H,21,24).
What are the key properties of 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 328.46 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70731941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).