N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide

C23H25FN4OS — CID 55959686

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H25FN4OS/c1-30-23-25-12-15-28(23)21-8-4-18(5-9-21)22(29)26-20-10-13-27(14-11-20)16-17-2-6-19(24)7-3-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29)
InChIKeyBJSMVJLBGIPELO-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.13
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55959686) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55959686
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H25FN4OS/c1-30-23-25-12-15-28(23)21-8-4-18(5-9-21)22(29)26-20-10-13-27(14-11-20)16-17-2-6-19(24)7-3-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29)
InChIKeyBJSMVJLBGIPELO-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55775744
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 136578301
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 166296875
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55959686) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is BJSMVJLBGIPELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c1-30-23-25-12-15-28(23)21-8-4-18(5-9-21)22(29)26-20-10-13-27(14-11-20)16-17-2-6-19(24)7-3-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55959686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).