1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

C18H18F3N3O4S — CID 3243255

IUPAC1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C18H18F3N3O4S/c19-18(20,21)28-15-7-5-14(6-8-15)23-17(25)13-3-2-10-24(12-13)29(26,27)16-4-1-9-22-11-16/h1,4-9,11,13H,2-3,10,12H2,(H,23,25)
InChIKeyADPQQRFXDLYAFI-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.02
Rot. Bonds5

About 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 3243255) has the molecular formula C18H18F3N3O4S and a molecular weight of 429.42 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID3243255
Molecular FormulaC18H18F3N3O4S
Molecular Weight429.42 g/mol
Exact Mass429.10
IUPAC Name1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C18H18F3N3O4S/c19-18(20,21)28-15-7-5-14(6-8-15)23-17(25)13-3-2-10-24(12-13)29(26,27)16-4-1-9-22-11-16/h1,4-9,11,13H,2-3,10,12H2,(H,23,25)
InChIKeyADPQQRFXDLYAFI-UHFFFAOYSA-N
XLogP3.02
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2981499
CID 2981499
CID 2983927
CID 2983927
CID 1164937
CID 1164937
CID 1242547
CID 1242547
CID 2988690
CID 2988690
CID 5307299
CID 5307299
CID 5307526
CID 5307526
CID 5308855
CID 5308855
CID 5309136
CID 5309136
CID 5309700
CID 5309700
CID 6492395
CID 6492395
CID 7315361
CID 7315361

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (CID 3243255) is 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is ADPQQRFXDLYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4S/c19-18(20,21)28-15-7-5-14(6-8-15)23-17(25)13-3-2-10-24(12-13)29(26,27)16-4-1-9-22-11-16/h1,4-9,11,13H,2-3,10,12H2,(H,23,25).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 3243255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).