N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide

C12H17N3O2S — CID 4787847

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17N3O2S/c1-14-4-6-15(7-5-14)11(16)9-13-12(17)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3,(H,13,17)
InChIKeyGNBUXADBLMBDAQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.25
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 4787847) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID4787847
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17N3O2S/c1-14-4-6-15(7-5-14)11(16)9-13-12(17)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3,(H,13,17)
InChIKeyGNBUXADBLMBDAQ-UHFFFAOYSA-N
XLogP0.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 4787847) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide is CN1CCN(C(=O)CNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GNBUXADBLMBDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14-4-6-15(7-5-14)11(16)9-13-12(17)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3,(H,13,17).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4787847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).