3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione

C22H33FN4O2 — CID 172590589

IUPAC3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione
SMILESNC1CCC(N2CCC(C3=C(F)CC(NC4CCC(=O)NC4=O)C=C3)CC2)CC1
InChIInChI=1S/C22H33FN4O2/c23-19-13-16(25-20-7-8-21(28)26-22(20)29)3-6-18(19)14-9-11-27(12-10-14)17-4-1-15(24)2-5-17/h3,6,14-17,20,25H,1-2,4-5,7-13,24H2,(H,26,28,29)
InChIKeyAEBNNYGIMFMKOP-UHFFFAOYSA-N
MW404.53 g/mol
LogP1.92
Rot. Bonds4

About 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione

3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione (PubChem CID 172590589) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione
PubChem CID172590589
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione
SMILESNC1CCC(N2CCC(C3=C(F)CC(NC4CCC(=O)NC4=O)C=C3)CC2)CC1
InChIInChI=1S/C22H33FN4O2/c23-19-13-16(25-20-7-8-21(28)26-22(20)29)3-6-18(19)14-9-11-27(12-10-14)17-4-1-15(24)2-5-17/h3,6,14-17,20,25H,1-2,4-5,7-13,24H2,(H,26,28,29)
InChIKeyAEBNNYGIMFMKOP-UHFFFAOYSA-N
XLogP1.92
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-[4-amino-2-(difluoromethyl)butyl]piperazin-1-yl]-N-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 169634205
3-(3-Fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione
CID 170625589
3-[[4-[1-(4-Aminocyclohexyl)piperidin-4-yl]-3-fluorocyclohexa-1,3-dien-1-yl]amino]piperidine-2,6-dione
CID 172589819
4-[4-(2-aminoethyl)piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-fluorocyclohepta-1,3,6-triene-1-carboxamide
CID 178047474
2-(2,6-Dioxopiperidin-3-yl)-4-methyl-5-piperazin-1-yl-4,5-dihydroisoindole-1,3-dione
CID 169931650
Ethane;3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione
CID 170625588

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione (CID 172590589) is 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione is NC1CCC(N2CCC(C3=C(F)CC(NC4CCC(=O)NC4=O)C=C3)CC2)CC1.
What is the InChIKey of 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione?
The InChIKey is AEBNNYGIMFMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O2/c23-19-13-16(25-20-7-8-21(28)26-22(20)29)3-6-18(19)14-9-11-27(12-10-14)17-4-1-15(24)2-5-17/h3,6,14-17,20,25H,1-2,4-5,7-13,24H2,(H,26,28,29).
What are the key properties of 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione?
3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione has a molecular weight of 404.53 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-2,4-dien-1-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 172590589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).