ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate

C17H30N4O4 — CID 55649050

IUPACethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(C(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H30N4O4/c1-4-25-16(23)14-5-7-20(8-6-14)15(22)13-19-9-11-21(12-10-19)17(24)18(2)3/h14H,4-13H2,1-3H3
InChIKeyXQIRHWXDAZEMNK-UHFFFAOYSA-N
MW354.45 g/mol
LogP0.09
Rot. Bonds4

About ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 55649050) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID55649050
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Nameethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(C(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H30N4O4/c1-4-25-16(23)14-5-7-20(8-6-14)15(22)13-19-9-11-21(12-10-19)17(24)18(2)3/h14H,4-13H2,1-3H3
InChIKeyXQIRHWXDAZEMNK-UHFFFAOYSA-N
XLogP0.09
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate (CID 55649050) is ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCN(C(=O)N(C)C)CC2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is XQIRHWXDAZEMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-4-25-16(23)14-5-7-20(8-6-14)15(22)13-19-9-11-21(12-10-19)17(24)18(2)3/h14H,4-13H2,1-3H3.
What are the key properties of ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55649050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).