1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide

C21H28N2OS2 — CID 71787093

IUPAC1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H28N2OS2/c24-20(21(9-1-2-10-21)19-6-4-16-26-19)22-11-14-23-12-7-17(8-13-23)18-5-3-15-25-18/h3-6,15-17H,1-2,7-14H2,(H,22,24)
InChIKeyKNSZCGUETXRRHA-UHFFFAOYSA-N
MW388.60 g/mol
LogP4.62
Rot. Bonds6

About 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide

1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 71787093) has the molecular formula C21H28N2OS2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID71787093
Molecular FormulaC21H28N2OS2
Molecular Weight388.60 g/mol
Exact Mass388.16
IUPAC Name1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H28N2OS2/c24-20(21(9-1-2-10-21)19-6-4-16-26-19)22-11-14-23-12-7-17(8-13-23)18-5-3-15-25-18/h3-6,15-17H,1-2,7-14H2,(H,22,24)
InChIKeyKNSZCGUETXRRHA-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide (CID 71787093) is 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide is O=C(NCCN1CCC(c2cccs2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is KNSZCGUETXRRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS2/c24-20(21(9-1-2-10-21)19-6-4-16-26-19)22-11-14-23-12-7-17(8-13-23)18-5-3-15-25-18/h3-6,15-17H,1-2,7-14H2,(H,22,24).
What are the key properties of 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide?
1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 388.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).