[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C14H21N5O2 — CID 120939440

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-11-13(17-4-9-21-11)14(20)19-7-5-18(6-8-19)12-10-15-2-3-16-12/h2-3,10-11,13,17H,4-9H2,1H3/t11-,13+/m1/s1
InChIKeyWIMMTLUBXQGIPR-YPMHNXCESA-N
MW291.35 g/mol
LogP-0.50
Rot. Bonds2

About [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 120939440) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID120939440
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-11-13(17-4-9-21-11)14(20)19-7-5-18(6-8-19)12-10-15-2-3-16-12/h2-3,10-11,13,17H,4-9H2,1H3/t11-,13+/m1/s1
InChIKeyWIMMTLUBXQGIPR-YPMHNXCESA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 120939440) is [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WIMMTLUBXQGIPR-YPMHNXCESA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-13(17-4-9-21-11)14(20)19-7-5-18(6-8-19)12-10-15-2-3-16-12/h2-3,10-11,13,17H,4-9H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120939440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).