N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C24H25F3N2O2S2 — CID 26129115

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H25F3N2O2S2/c25-24(26,27)19-7-5-17(6-8-19)22(31)29-11-9-16(10-12-29)21(30)28-20-4-1-3-18(15-20)23-32-13-2-14-33-23/h1,3-8,15-16,23H,2,9-14H2,(H,28,30)
InChIKeyJWSATGXPFQTLNQ-UHFFFAOYSA-N
MW494.60 g/mol
LogP6.07
Rot. Bonds4

About N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 26129115) has the molecular formula C24H25F3N2O2S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID26129115
Molecular FormulaC24H25F3N2O2S2
Molecular Weight494.60 g/mol
Exact Mass494.13
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H25F3N2O2S2/c25-24(26,27)19-7-5-17(6-8-19)22(31)29-11-9-16(10-12-29)21(30)28-20-4-1-3-18(15-20)23-32-13-2-14-33-23/h1,3-8,15-16,23H,2,9-14H2,(H,28,30)
InChIKeyJWSATGXPFQTLNQ-UHFFFAOYSA-N
XLogP6.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 39190015
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 52688722
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55652632
N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46543754
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55585994

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 26129115) is N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is O=C(Nc1cccc(C2SCCCS2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is JWSATGXPFQTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2S2/c25-24(26,27)19-7-5-17(6-8-19)22(31)29-11-9-16(10-12-29)21(30)28-20-4-1-3-18(15-20)23-32-13-2-14-33-23/h1,3-8,15-16,23H,2,9-14H2,(H,28,30).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 26129115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).