[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone

C22H21FN2O3 — CID 67168779

IUPAC[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)nc2ccccc12
InChIInChI=1S/C22H21FN2O3/c1-27-21-14-20(24-19-8-3-2-7-18(19)21)22(26)25-11-9-16(10-12-25)28-17-6-4-5-15(23)13-17/h2-8,13-14,16H,9-12H2,1H3
InChIKeyKRPMJLLNIGPERE-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.07
Rot. Bonds4

About [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone

[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone (PubChem CID 67168779) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
PubChem CID67168779
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)nc2ccccc12
InChIInChI=1S/C22H21FN2O3/c1-27-21-14-20(24-19-8-3-2-7-18(19)21)22(26)25-11-9-16(10-12-25)28-17-6-4-5-15(23)13-17/h2-8,13-14,16H,9-12H2,1H3
InChIKeyKRPMJLLNIGPERE-UHFFFAOYSA-N
XLogP4.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone 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

[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 138057193
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 46971532
N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5174799
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
N-[(4aR,6S,7aS)-2-(4-methoxyquinoline-2-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylmethanesulfonamide
CID 169414814
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
The IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone (CID 67168779) is [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone is COc1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)nc2ccccc12.
What is the InChIKey of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
The InChIKey is KRPMJLLNIGPERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-21-14-20(24-19-8-3-2-7-18(19)21)22(26)25-11-9-16(10-12-25)28-17-6-4-5-15(23)13-17/h2-8,13-14,16H,9-12H2,1H3.
What are the key properties of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone has a molecular weight of 380.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 67168779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).