methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate

C25H26N2O3S — CID 175321235

IUPACmethyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(CC3CCN(C(=O)Nc4ccccc4)CC3)c2)cs1
InChIInChI=1S/C25H26N2O3S/c1-30-24(28)23-16-21(17-31-23)20-7-5-6-19(15-20)14-18-10-12-27(13-11-18)25(29)26-22-8-3-2-4-9-22/h2-9,15-18H,10-14H2,1H3,(H,26,29)
InChIKeyWKJOYMVNRXRASK-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.69
Rot. Bonds5

About methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate

methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate (PubChem CID 175321235) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate
PubChem CID175321235
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Namemethyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(CC3CCN(C(=O)Nc4ccccc4)CC3)c2)cs1
InChIInChI=1S/C25H26N2O3S/c1-30-24(28)23-16-21(17-31-23)20-7-5-6-19(15-20)14-18-10-12-27(13-11-18)25(29)26-22-8-3-2-4-9-22/h2-9,15-18H,10-14H2,1H3,(H,26,29)
InChIKeyWKJOYMVNRXRASK-UHFFFAOYSA-N
XLogP5.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
methyl 3-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952168
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
methyl 3-[5-[[1-(phenylcarbamoyl)piperidin-4-yl]methylcarbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738849
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
3-benzyl-N-(3-methylsulfinylphenyl)pyrrolidine-1-carboxamide
CID 71992201
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 42693679

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate (CID 175321235) is methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate is COC(=O)c1cc(-c2cccc(CC3CCN(C(=O)Nc4ccccc4)CC3)c2)cs1.
What is the InChIKey of methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate?
The InChIKey is WKJOYMVNRXRASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-30-24(28)23-16-21(17-31-23)20-7-5-6-19(15-20)14-18-10-12-27(13-11-18)25(29)26-22-8-3-2-4-9-22/h2-9,15-18H,10-14H2,1H3,(H,26,29).
What are the key properties of methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate?
methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate has a molecular weight of 434.56 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]phenyl]thiophene-2-carboxylate is sourced from PubChem (CID 175321235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).