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

C14H27Cl2N3O3 — CID 119860023

IUPACmorpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCCC1CN1CCOCC1
InChIInChI=1S/C14H25N3O3.2ClH/c18-14(13-10-15-3-7-20-13)17-4-1-2-12(17)11-16-5-8-19-9-6-16;;/h12-13,15H,1-11H2;2*1H
InChIKeyTVEDHTPNUJDCLY-UHFFFAOYSA-N
MW356.29 g/mol
LogP0.14
Rot. Bonds3

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

morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 119860023) has the molecular formula C14H27Cl2N3O3 and a molecular weight of 356.29 g/mol. Its IUPAC name is morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namemorpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID119860023
Molecular FormulaC14H27Cl2N3O3
Molecular Weight356.29 g/mol
Exact Mass355.14
IUPAC Namemorpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCCC1CN1CCOCC1
InChIInChI=1S/C14H25N3O3.2ClH/c18-14(13-10-15-3-7-20-13)17-4-1-2-12(17)11-16-5-8-19-9-6-16;;/h12-13,15H,1-11H2;2*1H
InChIKeyTVEDHTPNUJDCLY-UHFFFAOYSA-N
XLogP0.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 107217729
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
2-[(2S)-1-[(2R)-morpholine-2-carbonyl]piperidin-2-yl]acetamide
CID 124699206
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119897783
[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124699248
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
(3-methylmorpholin-4-yl)-morpholin-2-ylmethanone;hydrochloride
CID 119730616
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
morpholin-2-yl-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119749313
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(morpholin-2-yl)methanone
CID 81488866

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 119860023) is morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1CNCCO1)N1CCCC1CN1CCOCC1.
What is the InChIKey of morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is TVEDHTPNUJDCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3.2ClH/c18-14(13-10-15-3-7-20-13)17-4-1-2-12(17)11-16-5-8-19-9-6-16;;/h12-13,15H,1-11H2;2*1H.
What are the key properties of morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 356.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119860023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).