1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione

C21H29FN2O3 — CID 110304886

IUPAC1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O3/c22-19-6-4-18(5-7-19)20(25)2-1-3-21(26)24-10-8-17(9-11-24)16-23-12-14-27-15-13-23/h4-7,17H,1-3,8-16H2
InChIKeyHPCSTIDIWJCAGW-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.75
Rot. Bonds7

About 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione

1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione (PubChem CID 110304886) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
PubChem CID110304886
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O3/c22-19-6-4-18(5-7-19)20(25)2-1-3-21(26)24-10-8-17(9-11-24)16-23-12-14-27-15-13-23/h4-7,17H,1-3,8-16H2
InChIKeyHPCSTIDIWJCAGW-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione 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

1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847
7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55845235
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 87018945
4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110353819
4-(3,4-dimethylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110624580
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
CID 110298115
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione (CID 110304886) is 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione is O=C(CCCC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione?
The InChIKey is HPCSTIDIWJCAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c22-19-6-4-18(5-7-19)20(25)2-1-3-21(26)24-10-8-17(9-11-24)16-23-12-14-27-15-13-23/h4-7,17H,1-3,8-16H2.
What are the key properties of 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione?
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione has a molecular weight of 376.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 110304886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).