2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone

C18H28N4O3 — CID 124988564

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
SMILESCc1cc([C@@H]2CN(C(=O)CN3CCN(CCO)CC3)CCO2)ccn1
InChIInChI=1S/C18H28N4O3/c1-15-12-16(2-3-19-15)17-13-22(9-11-25-17)18(24)14-21-6-4-20(5-7-21)8-10-23/h2-3,12,17,23H,4-11,13-14H2,1H3/t17-/m0/s1
InChIKeyONPBKWCHWYBJIL-KRWDZBQOSA-N
MW348.45 g/mol
LogP-0.10
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone (PubChem CID 124988564) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
PubChem CID124988564
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
SMILESCc1cc([C@@H]2CN(C(=O)CN3CCN(CCO)CC3)CCO2)ccn1
InChIInChI=1S/C18H28N4O3/c1-15-12-16(2-3-19-15)17-13-22(9-11-25-17)18(24)14-21-6-4-20(5-7-21)8-10-23/h2-3,12,17,23H,4-11,13-14H2,1H3/t17-/m0/s1
InChIKeyONPBKWCHWYBJIL-KRWDZBQOSA-N
XLogP-0.10
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953622
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110102646
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125009661
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone (CID 124988564) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone is Cc1cc([C@@H]2CN(C(=O)CN3CCN(CCO)CC3)CCO2)ccn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone?
The InChIKey is ONPBKWCHWYBJIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-15-12-16(2-3-19-15)17-13-22(9-11-25-17)18(24)14-21-6-4-20(5-7-21)8-10-23/h2-3,12,17,23H,4-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 124988564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).