(4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone

C20H26N4O2S — CID 46961304

IUPAC(4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C20H26N4O2S/c1-2-22-7-9-23(10-8-22)19(25)18-15-16(17-5-3-4-6-21-17)20(27-18)24-11-13-26-14-12-24/h3-6,15H,2,7-14H2,1H3
InChIKeyJKYFMGCHUCUXST-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.42
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone

(4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 46961304) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID46961304
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name(4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C20H26N4O2S/c1-2-22-7-9-23(10-8-22)19(25)18-15-16(17-5-3-4-6-21-17)20(27-18)24-11-13-26-14-12-24/h3-6,15H,2,7-14H2,1H3
InChIKeyJKYFMGCHUCUXST-UHFFFAOYSA-N
XLogP2.42
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone (CID 46961304) is (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone is CCN1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is JKYFMGCHUCUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-22-7-9-23(10-8-22)19(25)18-15-16(17-5-3-4-6-21-17)20(27-18)24-11-13-26-14-12-24/h3-6,15H,2,7-14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 386.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 46961304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).