methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate

C22H33N3O3 — CID 154758427

IUPACmethyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate
SMILESCCc1ccccc1NC(=O)CN1CCN(CC2(C(=O)OC)CCCC2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-18-8-4-5-9-19(18)23-20(26)16-24-12-14-25(15-13-24)17-22(21(27)28-2)10-6-7-11-22/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,23,26)
InChIKeyJTDBDYSWDBDQPL-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.54
Rot. Bonds7

About methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate

methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate (PubChem CID 154758427) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate
PubChem CID154758427
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Namemethyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate
SMILESCCc1ccccc1NC(=O)CN1CCN(CC2(C(=O)OC)CCCC2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-18-8-4-5-9-19(18)23-20(26)16-24-12-14-25(15-13-24)17-22(21(27)28-2)10-6-7-11-22/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,23,26)
InChIKeyJTDBDYSWDBDQPL-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773310
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate (CID 154758427) is methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate is CCc1ccccc1NC(=O)CN1CCN(CC2(C(=O)OC)CCCC2)CC1.
What is the InChIKey of methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate?
The InChIKey is JTDBDYSWDBDQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-18-8-4-5-9-19(18)23-20(26)16-24-12-14-25(15-13-24)17-22(21(27)28-2)10-6-7-11-22/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,23,26).
What are the key properties of methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate?
methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 154758427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).