2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide

C20H27N3OS — CID 17400751

IUPAC2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CCN(Cc2csc3ccccc23)CC1)NC1CCCC1
InChIInChI=1S/C20H27N3OS/c24-20(21-17-5-1-2-6-17)14-23-11-9-22(10-12-23)13-16-15-25-19-8-4-3-7-18(16)19/h3-4,7-8,15,17H,1-2,5-6,9-14H2,(H,21,24)
InChIKeyGHYFPGKDKFWMLJ-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide

2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide (PubChem CID 17400751) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide
PubChem CID17400751
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CCN(Cc2csc3ccccc23)CC1)NC1CCCC1
InChIInChI=1S/C20H27N3OS/c24-20(21-17-5-1-2-6-17)14-23-11-9-22(10-12-23)13-16-15-25-19-8-4-3-7-18(16)19/h3-4,7-8,15,17H,1-2,5-6,9-14H2,(H,21,24)
InChIKeyGHYFPGKDKFWMLJ-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide (CID 17400751) is 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide is O=C(CN1CCN(Cc2csc3ccccc23)CC1)NC1CCCC1.
What is the InChIKey of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is GHYFPGKDKFWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-20(21-17-5-1-2-6-17)14-23-11-9-22(10-12-23)13-16-15-25-19-8-4-3-7-18(16)19/h3-4,7-8,15,17H,1-2,5-6,9-14H2,(H,21,24).
What are the key properties of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide?
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 357.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 17400751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).