methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate

C19H29N3O3S — CID 119036739

IUPACmethyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate
SMILESCOC(=O)C(c1ccsc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C19H29N3O3S/c1-20-8-10-21(11-9-20)17(23)13-15-3-6-22(7-4-15)18(19(24)25-2)16-5-12-26-14-16/h5,12,14-15,18H,3-4,6-11,13H2,1-2H3
InChIKeyXDXCDEHFTSOWBB-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.84
Rot. Bonds5

About methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate

methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate (PubChem CID 119036739) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate
PubChem CID119036739
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Namemethyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate
SMILESCOC(=O)C(c1ccsc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C19H29N3O3S/c1-20-8-10-21(11-9-20)17(23)13-15-3-6-22(7-4-15)18(19(24)25-2)16-5-12-26-14-16/h5,12,14-15,18H,3-4,6-11,13H2,1-2H3
InChIKeyXDXCDEHFTSOWBB-UHFFFAOYSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate with MolForge

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Related Compounds

2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 84749119
methyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]-2-thiophen-3-ylacetate
CID 54179796
methyl (2R)-2-thiophen-3-yl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]acetate
CID 124874775
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl (2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-thiophen-3-ylacetate
CID 124874553
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl (2S)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate
CID 124874314
methyl (2R)-2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylacetate
CID 124874318
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate (CID 119036739) is methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate is COC(=O)C(c1ccsc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate?
The InChIKey is XDXCDEHFTSOWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-20-8-10-21(11-9-20)17(23)13-15-3-6-22(7-4-15)18(19(24)25-2)16-5-12-26-14-16/h5,12,14-15,18H,3-4,6-11,13H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate?
methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate has a molecular weight of 379.53 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate is sourced from PubChem (CID 119036739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).