ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate

C19H29N5O4 — CID 4658031

IUPACethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
SMILESCCCN(CCC(=O)N1CCN(C(=O)OCC)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H29N5O4/c1-4-7-23(18(26)16-14-20-15(3)13-21-16)8-6-17(25)22-9-11-24(12-10-22)19(27)28-5-2/h13-14H,4-12H2,1-3H3
InChIKeyJILQJHPWQQZEGG-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.33
Rot. Bonds7

About ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate

ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate (PubChem CID 4658031) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
PubChem CID4658031
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Nameethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
SMILESCCCN(CCC(=O)N1CCN(C(=O)OCC)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H29N5O4/c1-4-7-23(18(26)16-14-20-15(3)13-21-16)8-6-17(25)22-9-11-24(12-10-22)19(27)28-5-2/h13-14H,4-12H2,1-3H3
InChIKeyJILQJHPWQQZEGG-UHFFFAOYSA-N
XLogP1.33
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 109286321
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3484696
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 42783067
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 42782929
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
CID 4182971
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 7226719

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate (CID 4658031) is ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate is CCCN(CCC(=O)N1CCN(C(=O)OCC)CC1)C(=O)c1cnc(C)cn1.
What is the InChIKey of ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate?
The InChIKey is JILQJHPWQQZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-4-7-23(18(26)16-14-20-15(3)13-21-16)8-6-17(25)22-9-11-24(12-10-22)19(27)28-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 4658031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).