1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

C26H28N2O2S — CID 38095087

IUPAC1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1
InChIInChI=1S/C26H28N2O2S/c1-30-22-9-7-8-20(18-22)19-28-16-14-21(15-17-28)26(29)27-24-12-5-6-13-25(24)31-23-10-3-2-4-11-23/h2-13,18,21H,14-17,19H2,1H3,(H,27,29)
InChIKeyKEXBLLCXZKZTPJ-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.70
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 38095087) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID38095087
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1
InChIInChI=1S/C26H28N2O2S/c1-30-22-9-7-8-20(18-22)19-28-16-14-21(15-17-28)26(29)27-24-12-5-6-13-25(24)31-23-10-3-2-4-11-23/h2-13,18,21H,14-17,19H2,1H3,(H,27,29)
InChIKeyKEXBLLCXZKZTPJ-UHFFFAOYSA-N
XLogP5.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 43922515
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide
CID 43920642
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
1-(3,5-dimethoxybenzoyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 55759173
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38148941
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 38095881
1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
CID 43924958
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide (CID 38095087) is 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is KEXBLLCXZKZTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-30-22-9-7-8-20(18-22)19-28-16-14-21(15-17-28)26(29)27-24-12-5-6-13-25(24)31-23-10-3-2-4-11-23/h2-13,18,21H,14-17,19H2,1H3,(H,27,29).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38095087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).