4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

C24H30N2OS2 — CID 24551575

IUPAC4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C24H30N2OS2/c1-25(18-21-8-3-4-9-22(21)26-14-5-2-6-15-26)23(27)19-10-12-20(13-11-19)24-28-16-7-17-29-24/h3-4,8-13,24H,2,5-7,14-18H2,1H3
InChIKeyLUPNMGHBZTVLDP-UHFFFAOYSA-N
MW426.65 g/mol
LogP5.82
Rot. Bonds5

About 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 24551575) has the molecular formula C24H30N2OS2 and a molecular weight of 426.65 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID24551575
Molecular FormulaC24H30N2OS2
Molecular Weight426.65 g/mol
Exact Mass426.18
IUPAC Name4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C24H30N2OS2/c1-25(18-21-8-3-4-9-22(21)26-14-5-2-6-15-26)23(27)19-10-12-20(13-11-19)24-28-16-7-17-29-24/h3-4,8-13,24H,2,5-7,14-18H2,1H3
InChIKeyLUPNMGHBZTVLDP-UHFFFAOYSA-N
XLogP5.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665
N-[(2,3-dimethoxyphenyl)methyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide
CID 18112066
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 86906475
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (CID 24551575) is 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is LUPNMGHBZTVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2OS2/c1-25(18-21-8-3-4-9-22(21)26-14-5-2-6-15-26)23(27)19-10-12-20(13-11-19)24-28-16-7-17-29-24/h3-4,8-13,24H,2,5-7,14-18H2,1H3.
What are the key properties of 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 426.65 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 24551575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).