ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate

C19H29N5O3 — CID 109286263

IUPACethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3CC)cn2)CC1
InChIInChI=1S/C19H29N5O3/c1-3-15-7-5-6-8-24(15)17-14-20-16(13-21-17)18(25)22-9-11-23(12-10-22)19(26)27-4-2/h13-15H,3-12H2,1-2H3
InChIKeyHBDXFCXLYLWFEM-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.16
Rot. Bonds4

About ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 109286263) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate
PubChem CID109286263
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3CC)cn2)CC1
InChIInChI=1S/C19H29N5O3/c1-3-15-7-5-6-8-24(15)17-14-20-16(13-21-17)18(25)22-9-11-23(12-10-22)19(26)27-4-2/h13-15H,3-12H2,1-2H3
InChIKeyHBDXFCXLYLWFEM-UHFFFAOYSA-N
XLogP2.16
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275073
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897737
[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methanamine
CID 104688923
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109288627

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate (CID 109286263) is ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3CC)cn2)CC1.
What is the InChIKey of ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is HBDXFCXLYLWFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-15-7-5-6-8-24(15)17-14-20-16(13-21-17)18(25)22-9-11-23(12-10-22)19(26)27-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109286263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).