1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C25H26N2O3S — CID 134802096

IUPAC1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-30-23-7-3-2-6-22(23)18-8-10-20(11-9-18)25(29)27-14-12-19(13-15-27)24(28)26-17-21-5-4-16-31-21/h2-11,16,19H,12-15,17H2,1H3,(H,26,28)
InChIKeyHWNXIPMVQHZAHO-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.59
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 134802096) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID134802096
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-30-23-7-3-2-6-22(23)18-8-10-20(11-9-18)25(29)27-14-12-19(13-15-27)24(28)26-17-21-5-4-16-31-21/h2-11,16,19H,12-15,17H2,1H3,(H,26,28)
InChIKeyHWNXIPMVQHZAHO-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 134802096) is 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is COc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HWNXIPMVQHZAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-30-23-7-3-2-6-22(23)18-8-10-20(11-9-18)25(29)27-14-12-19(13-15-27)24(28)26-17-21-5-4-16-31-21/h2-11,16,19H,12-15,17H2,1H3,(H,26,28).
What are the key properties of 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134802096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).