N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide

C20H26FN3O2S — CID 166211214

IUPACN-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1)S(C)(=O)=O
InChIInChI=1S/C20H26FN3O2S/c1-23(27(2,25)26)13-16-4-3-11-24(14-16)15-19-6-5-18(12-20(19)21)17-7-9-22-10-8-17/h5-10,12,16H,3-4,11,13-15H2,1-2H3
InChIKeyMPQPVLPTEUFTRK-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.99
Rot. Bonds6

About N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide

N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 166211214) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
PubChem CID166211214
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC NameN-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1)S(C)(=O)=O
InChIInChI=1S/C20H26FN3O2S/c1-23(27(2,25)26)13-16-4-3-11-24(14-16)15-19-6-5-18(12-20(19)21)17-7-9-22-10-8-17/h5-10,12,16H,3-4,11,13-15H2,1-2H3
InChIKeyMPQPVLPTEUFTRK-UHFFFAOYSA-N
XLogP2.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide (CID 166211214) is N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide is CN(CC1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1)S(C)(=O)=O.
What is the InChIKey of N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is MPQPVLPTEUFTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c1-23(27(2,25)26)13-16-4-3-11-24(14-16)15-19-6-5-18(12-20(19)21)17-7-9-22-10-8-17/h5-10,12,16H,3-4,11,13-15H2,1-2H3.
What are the key properties of N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166211214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).