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

C24H35FN4O2 — CID 167463189

IUPAC3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESNC1CCC(CNCC2CCN(c3ccc(C4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C24H35FN4O2/c25-21-13-18(20-6-8-23(30)28-24(20)31)3-7-22(21)29-11-9-17(10-12-29)15-27-14-16-1-4-19(26)5-2-16/h3,7,13,16-17,19-20,27H,1-2,4-6,8-12,14-15,26H2,(H,28,30,31)
InChIKeyURKFGUBPPAPOQJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.67
Rot. Bonds6

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

3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione (PubChem CID 167463189) has the molecular formula C24H35FN4O2 and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
PubChem CID167463189
Molecular FormulaC24H35FN4O2
Molecular Weight430.57 g/mol
Exact Mass430.27
IUPAC Name3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESNC1CCC(CNCC2CCN(c3ccc(C4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C24H35FN4O2/c25-21-13-18(20-6-8-23(30)28-24(20)31)3-7-22(21)29-11-9-17(10-12-29)15-27-14-16-1-4-19(26)5-2-16/h3,7,13,16-17,19-20,27H,1-2,4-6,8-12,14-15,26H2,(H,28,30,31)
InChIKeyURKFGUBPPAPOQJ-UHFFFAOYSA-N
XLogP2.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463482
3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463156
tert-butyl 4-[[4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177363904
tert-butyl N-[(3R,4R)-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-3-fluoropiperidin-4-yl]carbamate
CID 171598618
3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463632
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
CID 170325245
tert-butyl N-[4-[[(2S)-4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-2-methylpiperazin-1-yl]methyl]cyclohexyl]carbamate
CID 170953663
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 171598924
3-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]piperidine-2,6-dione;3,3,3-trifluoroprop-1-en-2-ol
CID 177364562
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione (CID 167463189) is 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione is NC1CCC(CNCC2CCN(c3ccc(C4CCC(=O)NC4=O)cc3F)CC2)CC1.
What is the InChIKey of 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The InChIKey is URKFGUBPPAPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2/c25-21-13-18(20-6-8-23(30)28-24(20)31)3-7-22(21)29-11-9-17(10-12-29)15-27-14-16-1-4-19(26)5-2-16/h3,7,13,16-17,19-20,27H,1-2,4-6,8-12,14-15,26H2,(H,28,30,31).
What are the key properties of 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione has a molecular weight of 430.57 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).