1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C18H28N4OS — CID 71866646

IUPAC1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCS1
InChIInChI=1S/C18H28N4OS/c1-2-16-15-22(13-14-24-16)18(23)6-8-20-9-11-21(12-10-20)17-5-3-4-7-19-17/h3-5,7,16H,2,6,8-15H2,1H3
InChIKeyZFCGUKHQNQNKRG-UHFFFAOYSA-N
MW348.52 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 71866646) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID71866646
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCS1
InChIInChI=1S/C18H28N4OS/c1-2-16-15-22(13-14-24-16)18(23)6-8-20-9-11-21(12-10-20)17-5-3-4-7-19-17/h3-5,7,16H,2,6,8-15H2,1H3
InChIKeyZFCGUKHQNQNKRG-UHFFFAOYSA-N
XLogP1.95
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-[(3R)-3-(methylsulfanylmethyl)pyrrolidin-1-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 95932558
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120659139
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 71866646) is 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CCC1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCS1.
What is the InChIKey of 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ZFCGUKHQNQNKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-2-16-15-22(13-14-24-16)18(23)6-8-20-9-11-21(12-10-20)17-5-3-4-7-19-17/h3-5,7,16H,2,6,8-15H2,1H3.
What are the key properties of 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 348.52 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 71866646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).