4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide

C17H25N3O2S — CID 71989280

IUPAC4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1
InChIInChI=1S/C17H25N3O2S/c1-13-6-7-15(23-13)18-17(22)20-10-8-19(9-11-20)16(21)12-14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3,(H,18,22)
InChIKeyPTWYQIPPTVIYTH-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.31
Rot. Bonds3

About 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide

4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide (PubChem CID 71989280) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
PubChem CID71989280
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1
InChIInChI=1S/C17H25N3O2S/c1-13-6-7-15(23-13)18-17(22)20-10-8-19(9-11-20)16(21)12-14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3,(H,18,22)
InChIKeyPTWYQIPPTVIYTH-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide (CID 71989280) is 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1.
What is the InChIKey of 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide?
The InChIKey is PTWYQIPPTVIYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-6-7-15(23-13)18-17(22)20-10-8-19(9-11-20)16(21)12-14-4-2-3-5-14/h6-7,14H,2-5,8-12H2,1H3,(H,18,22).
What are the key properties of 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide?
4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylacetyl)-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).