1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride

C17H30ClN5O2 — CID 120856849

IUPAC1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
SMILESCN(CC1CN(CC2CCNCC2)CCO1)c1nccn(C)c1=O.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-20-8-7-19-16(17(20)23)21(2)12-15-13-22(9-10-24-15)11-14-3-5-18-6-4-14;/h7-8,14-15,18H,3-6,9-13H2,1-2H3;1H
InChIKeyYGINEAOEKNYOSX-UHFFFAOYSA-N
MW371.91 g/mol
LogP0.34
Rot. Bonds5

About 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride

1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride (PubChem CID 120856849) has the molecular formula C17H30ClN5O2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
PubChem CID120856849
Molecular FormulaC17H30ClN5O2
Molecular Weight371.91 g/mol
Exact Mass371.21
IUPAC Name1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
SMILESCN(CC1CN(CC2CCNCC2)CCO1)c1nccn(C)c1=O.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-20-8-7-19-16(17(20)23)21(2)12-15-13-22(9-10-24-15)11-14-3-5-18-6-4-14;/h7-8,14-15,18H,3-6,9-13H2,1-2H3;1H
InChIKeyYGINEAOEKNYOSX-UHFFFAOYSA-N
XLogP0.34
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride?
The IUPAC name of 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride (CID 120856849) is 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride is CN(CC1CN(CC2CCNCC2)CCO1)c1nccn(C)c1=O.Cl.
What is the InChIKey of 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride?
The InChIKey is YGINEAOEKNYOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.ClH/c1-20-8-7-19-16(17(20)23)21(2)12-15-13-22(9-10-24-15)11-14-3-5-18-6-4-14;/h7-8,14-15,18H,3-6,9-13H2,1-2H3;1H.
What are the key properties of 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride?
1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride is sourced from PubChem (CID 120856849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).