N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide

C26H36FN3O2S — CID 23108743

IUPACN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)CC1CCNCC1
InChIInChI=1S/C26H36FN3O2S/c1-33(31,32)30(19-22-10-14-28-15-11-22)20-24-4-2-3-5-26(24)23-12-16-29(17-13-23)18-21-6-8-25(27)9-7-21/h2-9,22-23,28H,10-20H2,1H3
InChIKeyQQOSYVQZBKUBSM-UHFFFAOYSA-N
MW473.66 g/mol
LogP3.97
Rot. Bonds8

About N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide

N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide (PubChem CID 23108743) has the molecular formula C26H36FN3O2S and a molecular weight of 473.66 g/mol. Its IUPAC name is N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
PubChem CID23108743
Molecular FormulaC26H36FN3O2S
Molecular Weight473.66 g/mol
Exact Mass473.25
IUPAC NameN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)CC1CCNCC1
InChIInChI=1S/C26H36FN3O2S/c1-33(31,32)30(19-22-10-14-28-15-11-22)20-24-4-2-3-5-26(24)23-12-16-29(17-13-23)18-21-6-8-25(27)9-7-21/h2-9,22-23,28H,10-20H2,1H3
InChIKeyQQOSYVQZBKUBSM-UHFFFAOYSA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
The IUPAC name of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide (CID 23108743) is N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)CC1CCNCC1.
What is the InChIKey of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
The InChIKey is QQOSYVQZBKUBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O2S/c1-33(31,32)30(19-22-10-14-28-15-11-22)20-24-4-2-3-5-26(24)23-12-16-29(17-13-23)18-21-6-8-25(27)9-7-21/h2-9,22-23,28H,10-20H2,1H3.
What are the key properties of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide has a molecular weight of 473.66 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 23108743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).