3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione

C22H31FN4O2 — CID 172591564

IUPAC3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
SMILESNC1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C22H31FN4O2/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/h3,6,13-15,17,20,25H,1-2,4-5,7-12,24H2,(H,26,28,29)
InChIKeyQECOWDZDRMNMNS-UHFFFAOYSA-N
MW402.51 g/mol
LogP2.49
Rot. Bonds4

About 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione

3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione (PubChem CID 172591564) has the molecular formula C22H31FN4O2 and a molecular weight of 402.51 g/mol. Its IUPAC name is 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
PubChem CID172591564
Molecular FormulaC22H31FN4O2
Molecular Weight402.51 g/mol
Exact Mass402.24
IUPAC Name3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
SMILESNC1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C22H31FN4O2/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/h3,6,13-15,17,20,25H,1-2,4-5,7-12,24H2,(H,26,28,29)
InChIKeyQECOWDZDRMNMNS-UHFFFAOYSA-N
XLogP2.49
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 52.49
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]-3-fluoroanilino]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

3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660
3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172589839
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 171598924
4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
CID 166729573
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
4-[[4-(3-cyclopropylphenyl)-5-fluoropyrimidin-2-yl]amino]-N-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]cyclohexane-1-carboxamide
CID 172590042
N-[4-[[4-(3-cyclopropylphenyl)-5-fluoropyrimidin-2-yl]amino]cyclohexyl]-4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexane-1-carboxamide
CID 172590349
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
CID 166168179
[4-[[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]cyclohexyl] 4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]piperidine-1-carboxylate
CID 172590050

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione (CID 172591564) is 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione is NC1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.
What is the InChIKey of 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?
The InChIKey is QECOWDZDRMNMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2/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/h3,6,13-15,17,20,25H,1-2,4-5,7-12,24H2,(H,26,28,29).
What are the key properties of 3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione?
3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione has a molecular weight of 402.51 g/mol, XLogP of 2.49, 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]-3-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 172591564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).