(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide

C13H26N4O2 — CID 120942873

IUPAC(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C13H26N4O2/c1-11-12(14-4-10-19-11)13(18)15-3-5-17-8-6-16(2)7-9-17/h11-12,14H,3-10H2,1-2H3,(H,15,18)/t11-,12+/m1/s1
InChIKeyGQUYGJYLEXHHGX-NEPJUHHUSA-N
MW270.38 g/mol
LogP-1.27
Rot. Bonds4

About (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide (PubChem CID 120942873) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
PubChem CID120942873
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C13H26N4O2/c1-11-12(14-4-10-19-11)13(18)15-3-5-17-8-6-16(2)7-9-17/h11-12,14H,3-10H2,1-2H3,(H,15,18)/t11-,12+/m1/s1
InChIKeyGQUYGJYLEXHHGX-NEPJUHHUSA-N
XLogP-1.27
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120941888
(2R,3S)-2-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939237
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
CID 120939853
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide (CID 120942873) is (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C)CC1.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is GQUYGJYLEXHHGX-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-11-12(14-4-10-19-11)13(18)15-3-5-17-8-6-16(2)7-9-17/h11-12,14H,3-10H2,1-2H3,(H,15,18)/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120942873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).