3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione

C21H28FN3O2 — CID 167190159

IUPAC3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CC[C@@H](CN4CCC[C@H](F)C4)C3)cc2)C(=O)N1
InChIInChI=1S/C21H28FN3O2/c22-17-2-1-10-24(14-17)12-15-9-11-25(13-15)18-5-3-16(4-6-18)19-7-8-20(26)23-21(19)27/h3-6,15,17,19H,1-2,7-14H2,(H,23,26,27)/t15-,17-,19?/m0/s1
InChIKeyLDOYXNCARTWRCC-GHFFVFNYSA-N
MW373.47 g/mol
LogP2.47
Rot. Bonds4

About 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 167190159) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID167190159
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CC[C@@H](CN4CCC[C@H](F)C4)C3)cc2)C(=O)N1
InChIInChI=1S/C21H28FN3O2/c22-17-2-1-10-24(14-17)12-15-9-11-25(13-15)18-5-3-16(4-6-18)19-7-8-20(26)23-21(19)27/h3-6,15,17,19H,1-2,7-14H2,(H,23,26,27)/t15-,17-,19?/m0/s1
InChIKeyLDOYXNCARTWRCC-GHFFVFNYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 167190155
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
CID 178116591
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
3-[4-[3-[2-[4-(3-aminophenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 172570020

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione (CID 167190159) is 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CC[C@@H](CN4CCC[C@H](F)C4)C3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is LDOYXNCARTWRCC-GHFFVFNYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-17-2-1-10-24(14-17)12-15-9-11-25(13-15)18-5-3-16(4-6-18)19-7-8-20(26)23-21(19)27/h3-6,15,17,19H,1-2,7-14H2,(H,23,26,27)/t15-,17-,19?/m0/s1.
What are the key properties of 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 373.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 167190159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).