N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C24H28N4OS — CID 25455004

IUPACN-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCSc1cccc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H28N4OS/c1-30-22-9-5-8-20(16-22)18-27-14-11-21(12-15-27)28-23(10-13-25-28)26-24(29)17-19-6-3-2-4-7-19/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3,(H,26,29)
InChIKeyOBODXUMPTMZCTE-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.62
Rot. Bonds7

About N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 25455004) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID25455004
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCSc1cccc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H28N4OS/c1-30-22-9-5-8-20(16-22)18-27-14-11-21(12-15-27)28-23(10-13-25-28)26-24(29)17-19-6-3-2-4-7-19/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3,(H,26,29)
InChIKeyOBODXUMPTMZCTE-UHFFFAOYSA-N
XLogP4.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752
(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 42193479
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 45218188
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 25455004) is N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CSc1cccc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is OBODXUMPTMZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-30-22-9-5-8-20(16-22)18-27-14-11-21(12-15-27)28-23(10-13-25-28)26-24(29)17-19-6-3-2-4-7-19/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 420.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 25455004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).