1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile

C25H29FN4O4 — CID 163456155

IUPAC1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile
SMILESN#CC1(CF)CCN([C@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C25H29FN4O4/c26-14-25(15-27)8-10-29(11-9-25)19-2-1-3-21(19)34-17-4-5-18-16(12-17)13-30(24(18)33)20-6-7-22(31)28-23(20)32/h4-5,12,19-21H,1-3,6-11,13-14H2,(H,28,31,32)/t19-,20?,21+/m0/s1
InChIKeyBKQRSMOQOWJMMP-SIGULFFNSA-N
MW468.53 g/mol
LogP2.32
Rot. Bonds5

About 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile

1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile (PubChem CID 163456155) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile
PubChem CID163456155
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile
SMILESN#CC1(CF)CCN([C@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C25H29FN4O4/c26-14-25(15-27)8-10-29(11-9-25)19-2-1-3-21(19)34-17-4-5-18-16(12-17)13-30(24(18)33)20-6-7-22(31)28-23(20)32/h4-5,12,19-21H,1-3,6-11,13-14H2,(H,28,31,32)/t19-,20?,21+/m0/s1
InChIKeyBKQRSMOQOWJMMP-SIGULFFNSA-N
XLogP2.32
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile 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-oxo-6-[(1R)-2-pyrrolidin-1-ylcyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146784178
3-[6-[(1R,2R)-2-(4,4-difluoropiperidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175619859
3-[3-oxo-6-[(1S,2R)-2-piperidin-1-ylcyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300158
3-[6-[(1R,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175619792
3-[6-[(2R)-2-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153392053
1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile
CID 167309957
1-[1-[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile
CID 166470209
3-[6-[(1S,2R)-2-(1,4-oxazepan-4-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149098093
3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296646
3-[6-[(1S,2R)-2-(3-cyclopropylazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167309958
3-[6-[2-(3-hydroxyazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296643
3-[6-[(1R,2S)-2-(3-cyclopropylazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167309956

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile (CID 163456155) is 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile is N#CC1(CF)CCN([C@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile?
The InChIKey is BKQRSMOQOWJMMP-SIGULFFNSA-N. The full InChI is InChI=1S/C25H29FN4O4/c26-14-25(15-27)8-10-29(11-9-25)19-2-1-3-21(19)34-17-4-5-18-16(12-17)13-30(24(18)33)20-6-7-22(31)28-23(20)32/h4-5,12,19-21H,1-3,6-11,13-14H2,(H,28,31,32)/t19-,20?,21+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile?
1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile has a molecular weight of 468.53 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-4-(fluoromethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 163456155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).