4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one

C24H28FN3O4 — CID 127248642

IUPAC4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCOc1ccccc1F)N1CCC(c2ncccc2C(=O)N2CCOCC2)C1
InChIInChI=1S/C24H28FN3O4/c25-20-6-1-2-7-21(20)32-14-4-8-22(29)28-11-9-18(17-28)23-19(5-3-10-26-23)24(30)27-12-15-31-16-13-27/h1-3,5-7,10,18H,4,8-9,11-17H2
InChIKeyZMIKIQLCFUIWAN-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.87
Rot. Bonds7

About 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one

4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 127248642) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
PubChem CID127248642
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCOc1ccccc1F)N1CCC(c2ncccc2C(=O)N2CCOCC2)C1
InChIInChI=1S/C24H28FN3O4/c25-20-6-1-2-7-21(20)32-14-4-8-22(29)28-11-9-18(17-28)23-19(5-3-10-26-23)24(30)27-12-15-31-16-13-27/h1-3,5-7,10,18H,4,8-9,11-17H2
InChIKeyZMIKIQLCFUIWAN-UHFFFAOYSA-N
XLogP2.87
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
CID 43214310
3-(2-fluorophenoxy)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124957103
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95831371
3-(2-fluorophenoxy)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 110108325
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
3-(2-fluorophenoxy)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 124985901
2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136820889
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one (CID 127248642) is 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one is O=C(CCCOc1ccccc1F)N1CCC(c2ncccc2C(=O)N2CCOCC2)C1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is ZMIKIQLCFUIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c25-20-6-1-2-7-21(20)32-14-4-8-22(29)28-11-9-18(17-28)23-19(5-3-10-26-23)24(30)27-12-15-31-16-13-27/h1-3,5-7,10,18H,4,8-9,11-17H2.
What are the key properties of 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?
4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 441.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 127248642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).