1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone

C17H24N4O3S — CID 120730674

IUPAC1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
SMILESO=C(CSCC(=O)N1CCNCC1c1cccnc1)N1CCOCC1
InChIInChI=1S/C17H24N4O3S/c22-16(20-6-8-24-9-7-20)12-25-13-17(23)21-5-4-19-11-15(21)14-2-1-3-18-10-14/h1-3,10,15,19H,4-9,11-13H2
InChIKeyNAUXFGHVPWXQGZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.15
Rot. Bonds5

About 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone

1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone (PubChem CID 120730674) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
PubChem CID120730674
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
SMILESO=C(CSCC(=O)N1CCNCC1c1cccnc1)N1CCOCC1
InChIInChI=1S/C17H24N4O3S/c22-16(20-6-8-24-9-7-20)12-25-13-17(23)21-5-4-19-11-15(21)14-2-1-3-18-10-14/h1-3,10,15,19H,4-9,11-13H2
InChIKeyNAUXFGHVPWXQGZ-UHFFFAOYSA-N
XLogP0.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
1-(2-pyridin-3-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 120730142
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729860
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732408
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone;hydrochloride
CID 120732170

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone (CID 120730674) is 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone is O=C(CSCC(=O)N1CCNCC1c1cccnc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone?
The InChIKey is NAUXFGHVPWXQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c22-16(20-6-8-24-9-7-20)12-25-13-17(23)21-5-4-19-11-15(21)14-2-1-3-18-10-14/h1-3,10,15,19H,4-9,11-13H2.
What are the key properties of 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone?
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone has a molecular weight of 364.47 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone is sourced from PubChem (CID 120730674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).