N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

C13H21N3OS — CID 30965865

IUPACN-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-14-13(17)10-16-6-4-15(5-7-16)9-12-3-8-18-11-12/h3,8,11H,2,4-7,9-10H2,1H3,(H,14,17)
InChIKeyLJGCOACRDKOECU-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 30965865) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
PubChem CID30965865
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-14-13(17)10-16-6-4-15(5-7-16)9-12-3-8-18-11-12/h3,8,11H,2,4-7,9-10H2,1H3,(H,14,17)
InChIKeyLJGCOACRDKOECU-UHFFFAOYSA-N
XLogP1.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (CID 30965865) is N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is LJGCOACRDKOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-14-13(17)10-16-6-4-15(5-7-16)9-12-3-8-18-11-12/h3,8,11H,2,4-7,9-10H2,1H3,(H,14,17).
What are the key properties of N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30965865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).