N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

C22H32F3N3O4S — CID 24860820

IUPACN-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(C1CCN(C(=O)CN2CCCC(O)C2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H32F3N3O4S/c1-16(2)28(33(31,32)20-7-3-5-17(13-20)22(23,24)25)18-8-11-27(12-9-18)21(30)15-26-10-4-6-19(29)14-26/h3,5,7,13,16,18-19,29H,4,6,8-12,14-15H2,1-2H3
InChIKeyNFJYBAVAGUDSHW-UHFFFAOYSA-N
MW491.58 g/mol
LogP2.55
Rot. Bonds6

About N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24860820) has the molecular formula C22H32F3N3O4S and a molecular weight of 491.58 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24860820
Molecular FormulaC22H32F3N3O4S
Molecular Weight491.58 g/mol
Exact Mass491.21
IUPAC NameN-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(C1CCN(C(=O)CN2CCCC(O)C2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H32F3N3O4S/c1-16(2)28(33(31,32)20-7-3-5-17(13-20)22(23,24)25)18-8-11-27(12-9-18)21(30)15-26-10-4-6-19(29)14-26/h3,5,7,13,16,18-19,29H,4,6,8-12,14-15H2,1-2H3
InChIKeyNFJYBAVAGUDSHW-UHFFFAOYSA-N
XLogP2.55
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(azetidine-3-carbonyl)piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24882798
ethyl 3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanoate
CID 59161865
(E)-but-2-enedioic acid;N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 68986321
2-(4-methylpiperidin-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 78822372
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
N-methyl-N-[1-[(2R)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11669562
3-methyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]butan-1-one
CID 143785705
N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 24877270
N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide
CID 24882802
3-(3-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912607
3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 97271131
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (CID 24860820) is N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is CC(C)N(C1CCN(C(=O)CN2CCCC(O)C2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NFJYBAVAGUDSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3O4S/c1-16(2)28(33(31,32)20-7-3-5-17(13-20)22(23,24)25)18-8-11-27(12-9-18)21(30)15-26-10-4-6-19(29)14-26/h3,5,7,13,16,18-19,29H,4,6,8-12,14-15H2,1-2H3.
What are the key properties of N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 491.58 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24860820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).