ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate

C14H23N3O2 — CID 12669818

IUPACethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(N2CCN(C)CC2)n(C)c1C
InChIInChI=1S/C14H23N3O2/c1-5-19-14(18)12-10-13(16(4)11(12)2)17-8-6-15(3)7-9-17/h10H,5-9H2,1-4H3
InChIKeyCTFXIMGRQFJMIB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.26
Rot. Bonds3

About ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate

ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate (PubChem CID 12669818) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate
PubChem CID12669818
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(N2CCN(C)CC2)n(C)c1C
InChIInChI=1S/C14H23N3O2/c1-5-19-14(18)12-10-13(16(4)11(12)2)17-8-6-15(3)7-9-17/h10H,5-9H2,1-4H3
InChIKeyCTFXIMGRQFJMIB-UHFFFAOYSA-N
XLogP1.26
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 4-(difluoromethyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 102973247
ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate
CID 70581183
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 58117012
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
CID 167528912
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
ethyl 5-[2-(tert-butylamino)-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxylate
CID 139533651
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
propyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate
CID 56737132
ethyl 1,3,5-trimethyl-4-(4-methylpiperazine-1-carbonyl)pyrrole-2-carboxylate
CID 43953928

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate (CID 12669818) is ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate is CCOC(=O)c1cc(N2CCN(C)CC2)n(C)c1C.
What is the InChIKey of ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate?
The InChIKey is CTFXIMGRQFJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-19-14(18)12-10-13(16(4)11(12)2)17-8-6-15(3)7-9-17/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate?
ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate is sourced from PubChem (CID 12669818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).