methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate

C18H23N3O2S — CID 56887063

IUPACmethyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CN2CCN(Cc3ncccc3C)CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-14-4-3-5-19-16(14)12-21-8-6-20(7-9-21)11-15-10-17(24-13-15)18(22)23-2/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyGGZOHRICBXAQSS-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.56
Rot. Bonds5

About methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate

methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate (PubChem CID 56887063) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate
PubChem CID56887063
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Namemethyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CN2CCN(Cc3ncccc3C)CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-14-4-3-5-19-16(14)12-21-8-6-20(7-9-21)11-15-10-17(24-13-15)18(22)23-2/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyGGZOHRICBXAQSS-UHFFFAOYSA-N
XLogP2.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 1-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxylate
CID 112549863
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
(5-methoxyfuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70772609
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
1-[(3-methyl-2-pyridinyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 165434165
N-(2,5-dimethylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434223
N-[(1S)-1-(4-methylphenyl)ethyl]-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 95121705
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
3-(2-amino-1,3-thiazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 70777538
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate (CID 56887063) is methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate is COC(=O)c1cc(CN2CCN(Cc3ncccc3C)CC2)cs1.
What is the InChIKey of methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate?
The InChIKey is GGZOHRICBXAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-4-3-5-19-16(14)12-21-8-6-20(7-9-21)11-15-10-17(24-13-15)18(22)23-2/h3-5,10,13H,6-9,11-12H2,1-2H3.
What are the key properties of methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate?
methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate has a molecular weight of 345.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 56887063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).