4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide

C24H29FN2O4S — CID 118120219

IUPAC4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C24H29FN2O4S/c1-32(29,30)26-24(28)21-13-20(19-7-8-19)23(14-22(21)25)31-16-18-9-11-27(12-10-18)15-17-5-3-2-4-6-17/h2-6,13-14,18-19H,7-12,15-16H2,1H3,(H,26,28)
InChIKeyYGCDGFNMFBCJAB-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.68
Rot. Bonds8

About 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide

4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 118120219) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
PubChem CID118120219
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC Name4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C24H29FN2O4S/c1-32(29,30)26-24(28)21-13-20(19-7-8-19)23(14-22(21)25)31-16-18-9-11-27(12-10-18)15-17-5-3-2-4-6-17/h2-6,13-14,18-19H,7-12,15-16H2,1H3,(H,26,28)
InChIKeyYGCDGFNMFBCJAB-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide (CID 118120219) is 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3)CC2)cc1F.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is YGCDGFNMFBCJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-32(29,30)26-24(28)21-13-20(19-7-8-19)23(14-22(21)25)31-16-18-9-11-27(12-10-18)15-17-5-3-2-4-6-17/h2-6,13-14,18-19H,7-12,15-16H2,1H3,(H,26,28).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 460.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 118120219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).