1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C23H26N4OS — CID 24793047

IUPAC1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCSc1cccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c1
InChIInChI=1S/C23H26N4OS/c1-29-22-10-2-6-18(14-22)16-26-12-4-7-19(17-26)23(28)25-20-8-3-9-21(15-20)27-13-5-11-24-27/h2-3,5-6,8-11,13-15,19H,4,7,12,16-17H2,1H3,(H,25,28)
InChIKeyDRSUWKFLUSTKMR-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.44
Rot. Bonds6

About 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24793047) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24793047
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCSc1cccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c1
InChIInChI=1S/C23H26N4OS/c1-29-22-10-2-6-18(14-22)16-26-12-4-7-19(17-26)23(28)25-20-8-3-9-21(15-20)27-13-5-11-24-27/h2-3,5-6,8-11,13-15,19H,4,7,12,16-17H2,1H3,(H,25,28)
InChIKeyDRSUWKFLUSTKMR-UHFFFAOYSA-N
XLogP4.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45226311
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
1-benzyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 47069261
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24793047) is 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is CSc1cccc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c1.
What is the InChIKey of 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is DRSUWKFLUSTKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-29-22-10-2-6-18(14-22)16-26-12-4-7-19(17-26)23(28)25-20-8-3-9-21(15-20)27-13-5-11-24-27/h2-3,5-6,8-11,13-15,19H,4,7,12,16-17H2,1H3,(H,25,28).
What are the key properties of 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).