N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

C21H29N3OS — CID 3600955

IUPACN-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C21H29N3OS/c1-3-17-7-5-8-18(4-2)20(17)22-21(25)24-14-12-23(13-15-24)11-10-19-9-6-16-26-19/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,25)
InChIKeyIGSOMNXUXJUACO-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.27
Rot. Bonds6

About N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (PubChem CID 3600955) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
PubChem CID3600955
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C21H29N3OS/c1-3-17-7-5-8-18(4-2)20(17)22-21(25)24-14-12-23(13-15-24)11-10-19-9-6-16-26-19/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,25)
InChIKeyIGSOMNXUXJUACO-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 23824710
N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3717878
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113110317
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 136549871
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (CID 3600955) is N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is CCc1cccc(CC)c1NC(=O)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is IGSOMNXUXJUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-3-17-7-5-8-18(4-2)20(17)22-21(25)24-14-12-23(13-15-24)11-10-19-9-6-16-26-19/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,25).
What are the key properties of N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 3600955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).