morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride

C13H22Cl2N4O3 — CID 119881019

IUPACmorpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C13H20N4O3.2ClH/c18-13(12-8-14-3-6-20-12)16-5-7-19-11(9-16)10-17-4-1-2-15-17;;/h1-2,4,11-12,14H,3,5-10H2;2*1H
InChIKeyNDRALPJDNDSYAN-UHFFFAOYSA-N
MW353.25 g/mol
LogP-0.06
Rot. Bonds3

About morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride

morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride (PubChem CID 119881019) has the molecular formula C13H22Cl2N4O3 and a molecular weight of 353.25 g/mol. Its IUPAC name is morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namemorpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
PubChem CID119881019
Molecular FormulaC13H22Cl2N4O3
Molecular Weight353.25 g/mol
Exact Mass352.11
IUPAC Namemorpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C13H20N4O3.2ClH/c18-13(12-8-14-3-6-20-12)16-5-7-19-11(9-16)10-17-4-1-2-15-17;;/h1-2,4,11-12,14H,3,5-10H2;2*1H
InChIKeyNDRALPJDNDSYAN-UHFFFAOYSA-N
XLogP-0.06
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119757100
(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
CID 129379201
2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 138026114

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
The IUPAC name of morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride (CID 119881019) is morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
The canonical SMILES for morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1CNCCO1)N1CCOC(Cn2cccn2)C1.
What is the InChIKey of morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
The InChIKey is NDRALPJDNDSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.2ClH/c18-13(12-8-14-3-6-20-12)16-5-7-19-11(9-16)10-17-4-1-2-15-17;;/h1-2,4,11-12,14H,3,5-10H2;2*1H.
What are the key properties of morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride has a molecular weight of 353.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119881019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).