1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

C25H25BrN2OS — CID 43924958

IUPAC1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C25H25BrN2OS/c26-21-10-6-8-19(16-21)17-28-15-7-9-20(18-28)25(29)27-23-13-4-5-14-24(23)30-22-11-2-1-3-12-22/h1-6,8,10-14,16,20H,7,9,15,17-18H2,(H,27,29)
InChIKeyFEUGLHAMWVTENN-UHFFFAOYSA-N
MW481.46 g/mol
LogP6.45
Rot. Bonds6

About 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 43924958) has the molecular formula C25H25BrN2OS and a molecular weight of 481.46 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID43924958
Molecular FormulaC25H25BrN2OS
Molecular Weight481.46 g/mol
Exact Mass480.09
IUPAC Name1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C25H25BrN2OS/c26-21-10-6-8-19(16-21)17-28-15-7-9-20(18-28)25(29)27-23-13-4-5-14-24(23)30-22-11-2-1-3-12-22/h1-6,8,10-14,16,20H,7,9,15,17-18H2,(H,27,29)
InChIKeyFEUGLHAMWVTENN-UHFFFAOYSA-N
XLogP6.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.46
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
1-[(3-bromophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923607
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920046
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38095087
methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925735
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide (CID 43924958) is 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is FEUGLHAMWVTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2OS/c26-21-10-6-8-19(16-21)17-28-15-7-9-20(18-28)25(29)27-23-13-4-5-14-24(23)30-22-11-2-1-3-12-22/h1-6,8,10-14,16,20H,7,9,15,17-18H2,(H,27,29).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43924958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).