2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone

C21H31N3O3 — CID 127361433

IUPAC2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
SMILESO=C(C(c1ccccc1)N1CCC(O)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H31N3O3/c25-19-7-10-23(11-8-19)20(17-4-2-1-3-5-17)21(26)24-9-6-18(16-24)22-12-14-27-15-13-22/h1-5,18-20,25H,6-16H2
InChIKeyLRTCDODZSWESCO-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.12
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone

2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone (PubChem CID 127361433) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
PubChem CID127361433
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
SMILESO=C(C(c1ccccc1)N1CCC(O)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H31N3O3/c25-19-7-10-23(11-8-19)20(17-4-2-1-3-5-17)21(26)24-9-6-18(16-24)22-12-14-27-15-13-22/h1-5,18-20,25H,6-16H2
InChIKeyLRTCDODZSWESCO-UHFFFAOYSA-N
XLogP1.12
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 91777788
3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 41097092
(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone (CID 127361433) is 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone is O=C(C(c1ccccc1)N1CCC(O)CC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone?
The InChIKey is LRTCDODZSWESCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-19-7-10-23(11-8-19)20(17-4-2-1-3-5-17)21(26)24-9-6-18(16-24)22-12-14-27-15-13-22/h1-5,18-20,25H,6-16H2.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone?
2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone has a molecular weight of 373.50 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 127361433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).