N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide

C18H28FN3O2S — CID 51121961

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H28FN3O2S/c1-15-6-12-22(13-7-15)25(23,24)20-18-8-10-21(11-9-18)14-16-2-4-17(19)5-3-16/h2-5,15,18,20H,6-14H2,1H3
InChIKeyPUFLHBFPFXMGLH-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.36
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide (PubChem CID 51121961) has the molecular formula C18H28FN3O2S and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
PubChem CID51121961
Molecular FormulaC18H28FN3O2S
Molecular Weight369.51 g/mol
Exact Mass369.19
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H28FN3O2S/c1-15-6-12-22(13-7-15)25(23,24)20-18-8-10-21(11-9-18)14-16-2-4-17(19)5-3-16/h2-5,15,18,20H,6-14H2,1H3
InChIKeyPUFLHBFPFXMGLH-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 39983032
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
CID 90898405
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 165435705
1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 90483762
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide (CID 51121961) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is PUFLHBFPFXMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2S/c1-15-6-12-22(13-7-15)25(23,24)20-18-8-10-21(11-9-18)14-16-2-4-17(19)5-3-16/h2-5,15,18,20H,6-14H2,1H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 369.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 51121961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).