3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione

C21H29F2N5O2 — CID 172589839

IUPAC3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
SMILESNC1CCN(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2F)CC1
InChIInChI=1S/C21H29F2N5O2/c22-15-11-14(25-17-2-4-20(29)26-21(17)30)1-3-18(15)28-10-7-19(16(23)12-28)27-8-5-13(24)6-9-27/h1,3,11,13,16-17,19,25H,2,4-10,12,24H2,(H,26,29,30)
InChIKeyYNFBTLIOXWYLQY-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.38
Rot. Bonds4

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

3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione (PubChem CID 172589839) has the molecular formula C21H29F2N5O2 and a molecular weight of 421.49 g/mol. Its IUPAC name is 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
PubChem CID172589839
Molecular FormulaC21H29F2N5O2
Molecular Weight421.49 g/mol
Exact Mass421.23
IUPAC Name3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
SMILESNC1CCN(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2F)CC1
InChIInChI=1S/C21H29F2N5O2/c22-15-11-14(25-17-2-4-20(29)26-21(17)30)1-3-18(15)28-10-7-19(16(23)12-28)27-8-5-13(24)6-9-27/h1,3,11,13,16-17,19,25H,2,4-10,12,24H2,(H,26,29,30)
InChIKeyYNFBTLIOXWYLQY-UHFFFAOYSA-N
XLogP1.38
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione with MolForge

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Related Compounds

3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 171598924
3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172591564
3-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 176706048
4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]oxypiperidine-1-carbaldehyde
CID 172589741
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660
3-[3-fluoro-4-[3-(methoxymethyl)-4-methylpiperazin-1-yl]anilino]piperidine-2,6-dione
CID 170953248
3-[3-fluoro-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]piperidine-2,6-dione;hydrochloride
CID 178082091
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
tert-butyl 4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]ethyl]piperidine-1-carboxylate
CID 164720022
1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-fluoropiperidin-4-yl]-N-[4-[[5-fluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
CID 172591553
5-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]pentanoic acid
CID 171637309
N-[1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-fluoropiperidin-4-yl]piperidin-4-yl]-4-[[5-fluoro-4-[3-(2-hydroxy-1,3-oxazinan-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172591628

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione (CID 172589839) is 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione is NC1CCN(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2F)CC1.
What is the InChIKey of 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
The InChIKey is YNFBTLIOXWYLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N5O2/c22-15-11-14(25-17-2-4-20(29)26-21(17)30)1-3-18(15)28-10-7-19(16(23)12-28)27-8-5-13(24)6-9-27/h1,3,11,13,16-17,19,25H,2,4-10,12,24H2,(H,26,29,30).
What are the key properties of 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione has a molecular weight of 421.49 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 172589839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).