(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone

C21H33N3O5 — CID 92989583

IUPAC(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C[C@@H]2CN(C[C@H](C)O)CCO2)CC1
InChIInChI=1S/C21H33N3O5/c1-16(25)13-23-11-12-29-17(15-23)14-22-7-9-24(10-8-22)21(26)20-18(27-2)5-4-6-19(20)28-3/h4-6,16-17,25H,7-15H2,1-3H3/t16-,17+/m0/s1
InChIKeyNKYDNIGRFOMUJX-DLBZAZTESA-N
MW407.51 g/mol
LogP0.54
Rot. Bonds7

About (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 92989583) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID92989583
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Name(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C[C@@H]2CN(C[C@H](C)O)CCO2)CC1
InChIInChI=1S/C21H33N3O5/c1-16(25)13-23-11-12-29-17(15-23)14-22-7-9-24(10-8-22)21(26)20-18(27-2)5-4-6-19(20)28-3/h4-6,16-17,25H,7-15H2,1-3H3/t16-,17+/m0/s1
InChIKeyNKYDNIGRFOMUJX-DLBZAZTESA-N
XLogP0.54
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42862313
1,3-benzodioxol-5-yl-[2-[[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 46059832
[4-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862306
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060337
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
1-[4-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42862328
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
(3-methoxyphenyl)-[4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42862438
[4-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060338
(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861839

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone (CID 92989583) is (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(C[C@@H]2CN(C[C@H](C)O)CCO2)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is NKYDNIGRFOMUJX-DLBZAZTESA-N. The full InChI is InChI=1S/C21H33N3O5/c1-16(25)13-23-11-12-29-17(15-23)14-22-7-9-24(10-8-22)21(26)20-18(27-2)5-4-6-19(20)28-3/h4-6,16-17,25H,7-15H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 407.51 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92989583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).