(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone

C23H23FN2O3S — CID 58211642

IUPAC(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
SMILESCC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C23H23FN2O3S/c1-23(24)12-14-26(15-13-23)22(27)20-10-5-8-18(25-20)16-30(28,29)21-11-4-7-17-6-2-3-9-19(17)21/h2-11H,12-16H2,1H3
InChIKeyXKSNHQOIDQVMOV-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.17
Rot. Bonds4

About (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone

(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone (PubChem CID 58211642) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
PubChem CID58211642
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
SMILESCC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C23H23FN2O3S/c1-23(24)12-14-26(15-13-23)22(27)20-10-5-8-18(25-20)16-30(28,29)21-11-4-7-17-6-2-3-9-19(17)21/h2-11H,12-16H2,1H3
InChIKeyXKSNHQOIDQVMOV-UHFFFAOYSA-N
XLogP4.17
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone (CID 58211642) is (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone is CC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)CC1.
What is the InChIKey of (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The InChIKey is XKSNHQOIDQVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-23(24)12-14-26(15-13-23)22(27)20-10-5-8-18(25-20)16-30(28,29)21-11-4-7-17-6-2-3-9-19(17)21/h2-11H,12-16H2,1H3.
What are the key properties of (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone has a molecular weight of 426.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 58211642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).