ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate

C15H23N3O2 — CID 59570462

IUPACethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(c1cccnc1C)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)14(13-6-5-7-16-12(13)2)18-10-8-17(3)9-11-18/h5-7,14H,4,8-11H2,1-3H3
InChIKeyVWJFRBXXGCEUOX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds4

About ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate

ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate (PubChem CID 59570462) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate
PubChem CID59570462
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(c1cccnc1C)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)14(13-6-5-7-16-12(13)2)18-10-8-17(3)9-11-18/h5-7,14H,4,8-11H2,1-3H3
InChIKeyVWJFRBXXGCEUOX-UHFFFAOYSA-N
XLogP1.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate
CID 10367510
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
CID 97355525
2-(3,5-dichloro-4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 112540416
ethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 71124360
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 64662976
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
ethyl 3-methyl-2-(4-methylpiperazin-1-yl)butanoate
CID 20833930
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate (CID 59570462) is ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate is CCOC(=O)C(c1cccnc1C)N1CCN(C)CC1.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate?
The InChIKey is VWJFRBXXGCEUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-15(19)14(13-6-5-7-16-12(13)2)18-10-8-17(3)9-11-18/h5-7,14H,4,8-11H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate?
ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate has a molecular weight of 277.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 59570462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).