2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide

C22H30N2OS — CID 14040470

IUPAC2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
SMILESCN(C(=O)Cc1cccc2sccc12)C1CCCCC1N1CCCCC1
InChIInChI=1S/C22H30N2OS/c1-23(19-9-3-4-10-20(19)24-13-5-2-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3
InChIKeyPCSNJPSRIZXIRW-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.70
Rot. Bonds4

About 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide

2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide (PubChem CID 14040470) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
PubChem CID14040470
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
SMILESCN(C(=O)Cc1cccc2sccc12)C1CCCCC1N1CCCCC1
InChIInChI=1S/C22H30N2OS/c1-23(19-9-3-4-10-20(19)24-13-5-2-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3
InChIKeyPCSNJPSRIZXIRW-UHFFFAOYSA-N
XLogP4.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
The IUPAC name of 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide (CID 14040470) is 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide is CN(C(=O)Cc1cccc2sccc12)C1CCCCC1N1CCCCC1.
What is the InChIKey of 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
The InChIKey is PCSNJPSRIZXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-23(19-9-3-4-10-20(19)24-13-5-2-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3.
What are the key properties of 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide has a molecular weight of 370.56 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 14040470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).