2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone

C20H30N2O4 — CID 77093029

IUPAC2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCCC1(O)CCCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H30N2O4/c1-2-20(24)8-3-9-21(16-20)14-17-4-6-18(7-5-17)26-15-19(23)22-10-12-25-13-11-22/h4-7,24H,2-3,8-16H2,1H3
InChIKeyMQXGMFJNMGBVNC-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.66
Rot. Bonds6

About 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 77093029) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID77093029
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCCC1(O)CCCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H30N2O4/c1-2-20(24)8-3-9-21(16-20)14-17-4-6-18(7-5-17)26-15-19(23)22-10-12-25-13-11-22/h4-7,24H,2-3,8-16H2,1H3
InChIKeyMQXGMFJNMGBVNC-UHFFFAOYSA-N
XLogP1.66
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983
2-[4-[[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130335
2-[4-[[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130334
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-[4-[[(3S)-3-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 129460105
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-[[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 99941147
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[(3S)-1-[2-(4-chlorophenoxy)acetyl]-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124990225
2-[4-[[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129454102
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone
CID 16673169

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone (CID 77093029) is 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone is CCC1(O)CCCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is MQXGMFJNMGBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-2-20(24)8-3-9-21(16-20)14-17-4-6-18(7-5-17)26-15-19(23)22-10-12-25-13-11-22/h4-7,24H,2-3,8-16H2,1H3.
What are the key properties of 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 362.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 77093029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).