5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one

C19H29N5O3 — CID 72844043

IUPAC5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-2-22-9-11-23(12-10-22)18(26)4-3-15-5-7-24(8-6-15)19(27)16-13-21-17(25)14-20-16/h13-15H,2-12H2,1H3,(H,21,25)
InChIKeyQOYIIZFYLMYYDO-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.57
Rot. Bonds5

About 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 72844043) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID72844043
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-2-22-9-11-23(12-10-22)18(26)4-3-15-5-7-24(8-6-15)19(27)16-13-21-17(25)14-20-16/h13-15H,2-12H2,1H3,(H,21,25)
InChIKeyQOYIIZFYLMYYDO-UHFFFAOYSA-N
XLogP0.57
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 72844043) is 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one is CCN1CCN(C(=O)CCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1.
What is the InChIKey of 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is QOYIIZFYLMYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-2-22-9-11-23(12-10-22)18(26)4-3-15-5-7-24(8-6-15)19(27)16-13-21-17(25)14-20-16/h13-15H,2-12H2,1H3,(H,21,25).
What are the key properties of 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 375.47 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 72844043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).