[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone

C24H24N4OS — CID 55823602

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
SMILESCSc1nccn1-c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H24N4OS/c1-30-24-25-11-14-28(24)19-6-4-5-18(15-19)23(29)27-12-9-17(10-13-27)21-16-26-22-8-3-2-7-20(21)22/h2-8,11,14-17,26H,9-10,12-13H2,1H3
InChIKeyAGFBYTGMWYNJMC-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.10
Rot. Bonds4

About [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone

[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone (PubChem CID 55823602) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
PubChem CID55823602
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
SMILESCSc1nccn1-c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H24N4OS/c1-30-24-25-11-14-28(24)19-6-4-5-18(15-19)23(29)27-12-9-17(10-13-27)21-16-26-22-8-3-2-7-20(21)22/h2-8,11,14-17,26H,9-10,12-13H2,1H3
InChIKeyAGFBYTGMWYNJMC-UHFFFAOYSA-N
XLogP5.10
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
CID 46492104
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
CID 55822246
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
[3-(2-methylsulfanylimidazol-1-yl)phenyl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935515
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 86839792
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110476889
4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 24599133

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone (CID 55823602) is [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone is CSc1nccn1-c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone?
The InChIKey is AGFBYTGMWYNJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-30-24-25-11-14-28(24)19-6-4-5-18(15-19)23(29)27-12-9-17(10-13-27)21-16-26-22-8-3-2-7-20(21)22/h2-8,11,14-17,26H,9-10,12-13H2,1H3.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone has a molecular weight of 416.55 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone is sourced from PubChem (CID 55823602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).