3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione

C24H35FN6O2 — CID 167463582

IUPAC3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione
SMILESCN(c1ccc(N2CCC3(CC2)CN(C2CCN(N)CC2)C3)c(F)c1)C1CCC(=O)NC1=O
InChIInChI=1S/C24H35FN6O2/c1-28(21-4-5-22(32)27-23(21)33)18-2-3-20(19(25)14-18)29-12-8-24(9-13-29)15-30(16-24)17-6-10-31(26)11-7-17/h2-3,14,17,21H,4-13,15-16,26H2,1H3,(H,27,32,33)
InChIKeyIFOMFUMIRHCVBD-UHFFFAOYSA-N
MW458.58 g/mol
LogP1.31
Rot. Bonds4

About 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione

3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione (PubChem CID 167463582) has the molecular formula C24H35FN6O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione
PubChem CID167463582
Molecular FormulaC24H35FN6O2
Molecular Weight458.58 g/mol
Exact Mass458.28
IUPAC Name3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione
SMILESCN(c1ccc(N2CCC3(CC2)CN(C2CCN(N)CC2)C3)c(F)c1)C1CCC(=O)NC1=O
InChIInChI=1S/C24H35FN6O2/c1-28(21-4-5-22(32)27-23(21)33)18-2-3-20(19(25)14-18)29-12-8-24(9-13-29)15-30(16-24)17-6-10-31(26)11-7-17/h2-3,14,17,21H,4-13,15-16,26H2,1H3,(H,27,32,33)
InChIKeyIFOMFUMIRHCVBD-UHFFFAOYSA-N
XLogP1.31
TPSA85.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463156
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
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
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660
tert-butyl 7-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 167463249
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166471840
tert-butyl N-[7-[[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-2,6-difluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463692
3-[[4-[4-[2-(1-aminopiperidin-4-yl)ethyl]piperazin-1-yl]-3-fluorophenyl]methylamino]piperidine-2,6-dione
CID 176897638
tert-butyl N-[1-[3-[[(3R)-2,6-dioxopiperidin-3-yl]-methylamino]phenyl]piperidin-4-yl]-N-methylcarbamate
CID 170624579
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 177052731

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione (CID 167463582) is 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione is CN(c1ccc(N2CCC3(CC2)CN(C2CCN(N)CC2)C3)c(F)c1)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione?
The InChIKey is IFOMFUMIRHCVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN6O2/c1-28(21-4-5-22(32)27-23(21)33)18-2-3-20(19(25)14-18)29-12-8-24(9-13-29)15-30(16-24)17-6-10-31(26)11-7-17/h2-3,14,17,21H,4-13,15-16,26H2,1H3,(H,27,32,33).
What are the key properties of 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione?
3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione has a molecular weight of 458.58 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione is sourced from PubChem (CID 167463582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).