N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide

C24H27FN2O4 — CID 90775191

IUPACN-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3=O)CC2)c1
InChIInChI=1S/C24H27FN2O4/c1-30-21-4-2-3-17(15-21)24(29)27(19-7-5-18(25)6-8-19)20-9-12-26(13-10-20)22-16-31-14-11-23(22)28/h2-8,15,20,22H,9-14,16H2,1H3
InChIKeyDXPUABLVJWBYIU-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.30
Rot. Bonds5

About N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide

N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide (PubChem CID 90775191) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide
PubChem CID90775191
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3=O)CC2)c1
InChIInChI=1S/C24H27FN2O4/c1-30-21-4-2-3-17(15-21)24(29)27(19-7-5-18(25)6-8-19)20-9-12-26(13-10-20)22-16-31-14-11-23(22)28/h2-8,15,20,22H,9-14,16H2,1H3
InChIKeyDXPUABLVJWBYIU-UHFFFAOYSA-N
XLogP3.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide (CID 90775191) is N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide is COc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3=O)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide?
The InChIKey is DXPUABLVJWBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-30-21-4-2-3-17(15-21)24(29)27(19-7-5-18(25)6-8-19)20-9-12-26(13-10-20)22-16-31-14-11-23(22)28/h2-8,15,20,22H,9-14,16H2,1H3.
What are the key properties of N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide?
N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide has a molecular weight of 426.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methoxy-N-[1-(4-oxooxan-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 90775191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).