N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H24N2O3S — CID 1075567

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-25-17-6-4-15(5-7-17)8-11-21-19(23)16-9-12-22(13-10-16)20(24)18-3-2-14-26-18/h2-7,14,16H,8-13H2,1H3,(H,21,23)
InChIKeyVRUIHACDCLQICM-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075567) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075567
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-25-17-6-4-15(5-7-17)8-11-21-19(23)16-9-12-22(13-10-16)20(24)18-3-2-14-26-18/h2-7,14,16H,8-13H2,1H3,(H,21,23)
InChIKeyVRUIHACDCLQICM-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075567) is N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is VRUIHACDCLQICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-17-6-4-15(5-7-17)8-11-21-19(23)16-9-12-22(13-10-16)20(24)18-3-2-14-26-18/h2-7,14,16H,8-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).