1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one

C22H23FN2O3 — CID 75589887

IUPAC1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCC(c2ccc(F)cc2)C(O)C1
InChIInChI=1S/C22H23FN2O3/c23-17-7-3-15(4-8-17)19-11-13-24(14-20(19)26)22(28)16-5-9-18(10-6-16)25-12-1-2-21(25)27/h3-10,19-20,26H,1-2,11-14H2
InChIKeyITLCOFZYRIPTBP-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 75589887) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID75589887
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCC(c2ccc(F)cc2)C(O)C1
InChIInChI=1S/C22H23FN2O3/c23-17-7-3-15(4-8-17)19-11-13-24(14-20(19)26)22(28)16-5-9-18(10-6-16)25-12-1-2-21(25)27/h3-10,19-20,26H,1-2,11-14H2
InChIKeyITLCOFZYRIPTBP-UHFFFAOYSA-N
XLogP2.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
CID 9296296
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
1-[4-[(E)-3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]pyrrolidin-2-one
CID 36508764
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 75589887) is 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(c2ccc(F)cc2)C(O)C1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is ITLCOFZYRIPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-17-7-3-15(4-8-17)19-11-13-24(14-20(19)26)22(28)16-5-9-18(10-6-16)25-12-1-2-21(25)27/h3-10,19-20,26H,1-2,11-14H2.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 382.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 75589887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).