4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine

C23H28FNO3S — CID 153011953

IUPAC4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine
SMILESCOc1ccc2c(c1)C(CN1CCC(CS(=O)(=O)c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H28FNO3S/c1-28-21-7-4-18-2-3-19(23(18)14-21)15-25-12-10-17(11-13-25)16-29(26,27)22-8-5-20(24)6-9-22/h4-9,14,17,19H,2-3,10-13,15-16H2,1H3
InChIKeyVAFNZNNSLKCPIC-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.05
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine

4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine (PubChem CID 153011953) has the molecular formula C23H28FNO3S and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine
PubChem CID153011953
Molecular FormulaC23H28FNO3S
Molecular Weight417.55 g/mol
Exact Mass417.18
IUPAC Name4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine
SMILESCOc1ccc2c(c1)C(CN1CCC(CS(=O)(=O)c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H28FNO3S/c1-28-21-7-4-18-2-3-19(23(18)14-21)15-25-12-10-17(11-13-25)16-29(26,27)22-8-5-20(24)6-9-22/h4-9,14,17,19H,2-3,10-13,15-16H2,1H3
InChIKeyVAFNZNNSLKCPIC-UHFFFAOYSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine (CID 153011953) is 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine is COc1ccc2c(c1)C(CN1CCC(CS(=O)(=O)c3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine?
The InChIKey is VAFNZNNSLKCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3S/c1-28-21-7-4-18-2-3-19(23(18)14-21)15-25-12-10-17(11-13-25)16-29(26,27)22-8-5-20(24)6-9-22/h4-9,14,17,19H,2-3,10-13,15-16H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine?
4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine has a molecular weight of 417.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylmethyl]-1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine is sourced from PubChem (CID 153011953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).