4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one

C26H31FN2O5 — CID 23345033

IUPAC4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OCC(O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H31FN2O5/c1-33-23-7-4-19(20-13-25(31)28-14-20)12-24(23)34-16-22(30)15-29-10-8-18(9-11-29)26(32)17-2-5-21(27)6-3-17/h2-7,12,18,20,22,30H,8-11,13-16H2,1H3,(H,28,31)
InChIKeyRQZZBZFNUMEROV-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.77
Rot. Bonds9

About 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one

4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one (PubChem CID 23345033) has the molecular formula C26H31FN2O5 and a molecular weight of 470.54 g/mol. Its IUPAC name is 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one
PubChem CID23345033
Molecular FormulaC26H31FN2O5
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OCC(O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H31FN2O5/c1-33-23-7-4-19(20-13-25(31)28-14-20)12-24(23)34-16-22(30)15-29-10-8-18(9-11-29)26(32)17-2-5-21(27)6-3-17/h2-7,12,18,20,22,30H,8-11,13-16H2,1H3,(H,28,31)
InChIKeyRQZZBZFNUMEROV-UHFFFAOYSA-N
XLogP2.77
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
1-[5-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 74229800
4-[3-(3-hydroxy-4-piperazin-1-ylbutan-2-yl)oxy-4-methoxyphenyl]pyrrolidin-2-one
CID 23345030
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate
CID 55476652
1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 7247975
(2R)-1-[5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 42244130
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
1-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45248809

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one (CID 23345033) is 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1OCC(O)CN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one?
The InChIKey is RQZZBZFNUMEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O5/c1-33-23-7-4-19(20-13-25(31)28-14-20)12-24(23)34-16-22(30)15-29-10-8-18(9-11-29)26(32)17-2-5-21(27)6-3-17/h2-7,12,18,20,22,30H,8-11,13-16H2,1H3,(H,28,31).
What are the key properties of 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one?
4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one has a molecular weight of 470.54 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 23345033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).