2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide

C20H25N3O3S — CID 90521151

IUPAC2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESO=C(c1cccnc1)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(19-7-4-11-21-16-19)23-12-8-18(9-13-23)15-22-27(25,26)14-10-17-5-2-1-3-6-17/h1-7,11,16,18,22H,8-10,12-15H2
InChIKeyMSXZNIXRIBRVDK-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.10
Rot. Bonds7

About 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide

2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 90521151) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID90521151
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESO=C(c1cccnc1)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(19-7-4-11-21-16-19)23-12-8-18(9-13-23)15-22-27(25,26)14-10-17-5-2-1-3-6-17/h1-7,11,16,18,22H,8-10,12-15H2
InChIKeyMSXZNIXRIBRVDK-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 71786405
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(2-phenylethylsulfonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110364647
4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 90521151) is 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide is O=C(c1cccnc1)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is MSXZNIXRIBRVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(19-7-4-11-21-16-19)23-12-8-18(9-13-23)15-22-27(25,26)14-10-17-5-2-1-3-6-17/h1-7,11,16,18,22H,8-10,12-15H2.
What are the key properties of 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 90521151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).