[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C27H37N3O6 — CID 42862313

IUPAC[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(OCC(O)CN2CCOC(CN3CCN(C(=O)c4ccccc4OC)CC3)C2)cc1
InChIInChI=1S/C27H37N3O6/c1-33-22-7-9-23(10-8-22)36-20-21(31)17-29-15-16-35-24(19-29)18-28-11-13-30(14-12-28)27(32)25-5-3-4-6-26(25)34-2/h3-10,21,24,31H,11-20H2,1-2H3
InChIKeyLJQMVZFDYUSNPT-UHFFFAOYSA-N
MW499.61 g/mol
LogP1.60
Rot. Bonds10

About [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 42862313) has the molecular formula C27H37N3O6 and a molecular weight of 499.61 g/mol. Its IUPAC name is [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID42862313
Molecular FormulaC27H37N3O6
Molecular Weight499.61 g/mol
Exact Mass499.27
IUPAC Name[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(OCC(O)CN2CCOC(CN3CCN(C(=O)c4ccccc4OC)CC3)C2)cc1
InChIInChI=1S/C27H37N3O6/c1-33-22-7-9-23(10-8-22)36-20-21(31)17-29-15-16-35-24(19-29)18-28-11-13-30(14-12-28)27(32)25-5-3-4-6-26(25)34-2/h3-10,21,24,31H,11-20H2,1-2H3
InChIKeyLJQMVZFDYUSNPT-UHFFFAOYSA-N
XLogP1.60
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 92989583
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
[4-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862306
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731560
1-[4-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42862328
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
CID 164906171

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 42862313) is [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccc(OCC(O)CN2CCOC(CN3CCN(C(=O)c4ccccc4OC)CC3)C2)cc1.
What is the InChIKey of [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is LJQMVZFDYUSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O6/c1-33-22-7-9-23(10-8-22)36-20-21(31)17-29-15-16-35-24(19-29)18-28-11-13-30(14-12-28)27(32)25-5-3-4-6-26(25)34-2/h3-10,21,24,31H,11-20H2,1-2H3.
What are the key properties of [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 499.61 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 42862313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).