3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

C27H29FN4O3 — CID 23396266

IUPAC3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(COc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1
InChIInChI=1S/C27H29FN4O3/c1-19(33)31-23-5-2-21(3-6-23)18-35-26-16-22(4-7-25(26)28)27(34)30-17-20-10-14-32(15-11-20)24-8-12-29-13-9-24/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyABUNJKGQVMIKAO-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.40
Rot. Bonds8

About 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 23396266) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID23396266
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC Name3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(COc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1
InChIInChI=1S/C27H29FN4O3/c1-19(33)31-23-5-2-21(3-6-23)18-35-26-16-22(4-7-25(26)28)27(34)30-17-20-10-14-32(15-11-20)24-8-12-29-13-9-24/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyABUNJKGQVMIKAO-UHFFFAOYSA-N
XLogP4.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (CID 23396266) is 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is CC(=O)Nc1ccc(COc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is ABUNJKGQVMIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-19(33)31-23-5-2-21(3-6-23)18-35-26-16-22(4-7-25(26)28)27(34)30-17-20-10-14-32(15-11-20)24-8-12-29-13-9-24/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 23396266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).