ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate

C19H29N5O3 — CID 109230451

IUPACethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)N3CCN(CC)CC3)c2)CC1
InChIInChI=1S/C19H29N5O3/c1-3-21-5-7-23(8-6-21)18(25)16-13-17(15-20-14-16)22-9-11-24(12-10-22)19(26)27-4-2/h13-15H,3-12H2,1-2H3
InChIKeyICVZNEMNJHLUDE-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.14
Rot. Bonds4

About ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109230451) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109230451
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)N3CCN(CC)CC3)c2)CC1
InChIInChI=1S/C19H29N5O3/c1-3-21-5-7-23(8-6-21)18(25)16-13-17(15-20-14-16)22-9-11-24(12-10-22)19(26)27-4-2/h13-15H,3-12H2,1-2H3
InChIKeyICVZNEMNJHLUDE-UHFFFAOYSA-N
XLogP1.14
TPSA69.22 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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109238366
ethyl 4-[5-(diethylcarbamoyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106671
ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109238384
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109230451) is ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cncc(C(=O)N3CCN(CC)CC3)c2)CC1.
What is the InChIKey of ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is ICVZNEMNJHLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-21-5-7-23(8-6-21)18(25)16-13-17(15-20-14-16)22-9-11-24(12-10-22)19(26)27-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109230451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).