N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

C16H27N3OS — CID 80547961

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)(C)N2CCNCC2)c(C)s1
InChIInChI=1S/C16H27N3OS/c1-11-10-14(13(3)21-11)12(2)18-15(20)16(4,5)19-8-6-17-7-9-19/h10,12,17H,6-9H2,1-5H3,(H,18,20)
InChIKeyKOGMGYIGSMKKNL-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547961) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547961
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)(C)N2CCNCC2)c(C)s1
InChIInChI=1S/C16H27N3OS/c1-11-10-14(13(3)21-11)12(2)18-15(20)16(4,5)19-8-6-17-7-9-19/h10,12,17H,6-9H2,1-5H3,(H,18,20)
InChIKeyKOGMGYIGSMKKNL-UHFFFAOYSA-N
XLogP2.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
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2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
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N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 80547961) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is Cc1cc(C(C)NC(=O)C(C)(C)N2CCNCC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is KOGMGYIGSMKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11-10-14(13(3)21-11)12(2)18-15(20)16(4,5)19-8-6-17-7-9-19/h10,12,17H,6-9H2,1-5H3,(H,18,20).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 309.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).