ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate

C18H29N5O3 — CID 109286321

IUPACethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCCN(CCC)C(=O)c1cnc(N2CCN(C(=O)OCC)CC2)cn1
InChIInChI=1S/C18H29N5O3/c1-4-7-22(8-5-2)17(24)15-13-20-16(14-19-15)21-9-11-23(12-10-21)18(25)26-6-3/h13-14H,4-12H2,1-3H3
InChIKeyRKFDYPHUUIIQNV-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.02
Rot. Bonds7

About ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate

ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 109286321) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID109286321
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nameethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCCN(CCC)C(=O)c1cnc(N2CCN(C(=O)OCC)CC2)cn1
InChIInChI=1S/C18H29N5O3/c1-4-7-22(8-5-2)17(24)15-13-20-16(14-19-15)21-9-11-23(12-10-21)18(25)26-6-3/h13-14H,4-12H2,1-3H3
InChIKeyRKFDYPHUUIIQNV-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109279210
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109282194
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
CID 109187393
ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109273745
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160189

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate (CID 109286321) is ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate is CCCN(CCC)C(=O)c1cnc(N2CCN(C(=O)OCC)CC2)cn1.
What is the InChIKey of ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is RKFDYPHUUIIQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-7-22(8-5-2)17(24)15-13-20-16(14-19-15)21-9-11-23(12-10-21)18(25)26-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate?
ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109286321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).