4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

C18H24F3N3O4S — CID 142651702

IUPAC4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCNCC1
InChIInChI=1S/C18H24F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)28-15-5-11-24(12-6-15)29(26,27)17(16(22)25)7-9-23-10-8-17/h1-4,15,23H,5-12H2,(H2,22,25)
InChIKeyGNLRYXUKGBNPSL-UHFFFAOYSA-N
MW435.47 g/mol
LogP1.49
Rot. Bonds5

About 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 142651702) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
PubChem CID142651702
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC Name4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCNCC1
InChIInChI=1S/C18H24F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)28-15-5-11-24(12-6-15)29(26,27)17(16(22)25)7-9-23-10-8-17/h1-4,15,23H,5-12H2,(H2,22,25)
InChIKeyGNLRYXUKGBNPSL-UHFFFAOYSA-N
XLogP1.49
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052601
4-[4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid
CID 18723195
1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 22052582
N-hydroxy-1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052587
methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 22052652
N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 139931376
N-hydroxy-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 23377578
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 142009576
2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine
CID 59989393
2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide
CID 139931403
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 142651702) is 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is NC(=O)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCNCC1.
What is the InChIKey of 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is GNLRYXUKGBNPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)28-15-5-11-24(12-6-15)29(26,27)17(16(22)25)7-9-23-10-8-17/h1-4,15,23H,5-12H2,(H2,22,25).
What are the key properties of 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 142651702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).