ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate

C16H26N4O3 — CID 146089004

IUPACethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC2CCN(C(=O)N(C)C)CC2)cn1C
InChIInChI=1S/C16H26N4O3/c1-5-23-15(21)14-10-13(11-19(14)4)17-12-6-8-20(9-7-12)16(22)18(2)3/h10-12,17H,5-9H2,1-4H3
InChIKeyZTBGRGYPZAHUIO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.76
Rot. Bonds4

About ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate

ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate (PubChem CID 146089004) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate
PubChem CID146089004
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nameethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC2CCN(C(=O)N(C)C)CC2)cn1C
InChIInChI=1S/C16H26N4O3/c1-5-23-15(21)14-10-13(11-19(14)4)17-12-6-8-20(9-7-12)16(22)18(2)3/h10-12,17H,5-9H2,1-4H3
InChIKeyZTBGRGYPZAHUIO-UHFFFAOYSA-N
XLogP1.76
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate (CID 146089004) is ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(NC2CCN(C(=O)N(C)C)CC2)cn1C.
What is the InChIKey of ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate?
The InChIKey is ZTBGRGYPZAHUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-5-23-15(21)14-10-13(11-19(14)4)17-12-6-8-20(9-7-12)16(22)18(2)3/h10-12,17H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate?
ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 146089004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).