1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C16H28N4O4 — CID 120938500

IUPAC1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H28N4O4/c1-13-15(17-2-9-24-13)16(22)20-5-3-19(4-6-20)14(21)12-18-7-10-23-11-8-18/h13,15,17H,2-12H2,1H3/t13-,15+/m1/s1
InChIKeyZGYOCAYBBODRDM-HIFRSBDPSA-N
MW340.42 g/mol
LogP-1.63
Rot. Bonds3

About 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 120938500) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID120938500
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H28N4O4/c1-13-15(17-2-9-24-13)16(22)20-5-3-19(4-6-20)14(21)12-18-7-10-23-11-8-18/h13,15,17H,2-12H2,1H3/t13-,15+/m1/s1
InChIKeyZGYOCAYBBODRDM-HIFRSBDPSA-N
XLogP-1.63
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840026
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 120938815
2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
CID 120942422
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 120938500) is 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZGYOCAYBBODRDM-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-13-15(17-2-9-24-13)16(22)20-5-3-19(4-6-20)14(21)12-18-7-10-23-11-8-18/h13,15,17H,2-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 340.42 g/mol, XLogP of -1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 120938500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).