ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C21H41N3O2 — CID 142596800

IUPACethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC.CC.CC.CNC(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2.3C2H6/c1-16-15(19)13-18-9-7-17(8-10-18)11-12-20-14-5-3-2-4-6-14;3*1-2/h2-6H,7-13H2,1H3,(H,16,19);3*1-2H3
InChIKeyJQADPLDRUKJKHE-UHFFFAOYSA-N
MW367.58 g/mol
LogP3.51
Rot. Bonds6

About ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 142596800) has the molecular formula C21H41N3O2 and a molecular weight of 367.58 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID142596800
Molecular FormulaC21H41N3O2
Molecular Weight367.58 g/mol
Exact Mass367.32
IUPAC Nameethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC.CC.CC.CNC(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2.3C2H6/c1-16-15(19)13-18-9-7-17(8-10-18)11-12-20-14-5-3-2-4-6-14;3*1-2/h2-6H,7-13H2,1H3,(H,16,19);3*1-2H3
InChIKeyJQADPLDRUKJKHE-UHFFFAOYSA-N
XLogP3.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
CID 134045424
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 142596800) is ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is CC.CC.CC.CNC(=O)CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is JQADPLDRUKJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.3C2H6/c1-16-15(19)13-18-9-7-17(8-10-18)11-12-20-14-5-3-2-4-6-14;3*1-2/h2-6H,7-13H2,1H3,(H,16,19);3*1-2H3.
What are the key properties of ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 367.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 142596800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).