[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C23H28FNO3 — CID 173404581

IUPAC[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1cc(C(C)C)cc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C23H28FNO3/c1-15(2)18-13-20(23(28-4)21(14-18)27-3)25-11-9-17(10-12-25)22(26)16-5-7-19(24)8-6-16/h5-8,13-15,17H,9-12H2,1-4H3
InChIKeyICAVSKWAAXZVOT-UHFFFAOYSA-N
MW385.48 g/mol
LogP5.07
Rot. Bonds6

About [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 173404581) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID173404581
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1cc(C(C)C)cc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C23H28FNO3/c1-15(2)18-13-20(23(28-4)21(14-18)27-3)25-11-9-17(10-12-25)22(26)16-5-7-19(24)8-6-16/h5-8,13-15,17H,9-12H2,1-4H3
InChIKeyICAVSKWAAXZVOT-UHFFFAOYSA-N
XLogP5.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 70424100
2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 22357045
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
CID 130450896
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133360025
N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671429
1-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 4309568
N-(2,4-dimethoxyphenyl)-2-ethyl-3-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671432
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 173404581) is [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone is COc1cc(C(C)C)cc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1OC.
What is the InChIKey of [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is ICAVSKWAAXZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-15(2)18-13-20(23(28-4)21(14-18)27-3)25-11-9-17(10-12-25)22(26)16-5-7-19(24)8-6-16/h5-8,13-15,17H,9-12H2,1-4H3.
What are the key properties of [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 385.48 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 173404581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).