[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone

C14H26N2O3 — CID 119789495

IUPAC[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESCC(C)CCOC1CCN(C(=O)C2CNCCO2)C1
InChIInChI=1S/C14H26N2O3/c1-11(2)4-7-18-12-3-6-16(10-12)14(17)13-9-15-5-8-19-13/h11-13,15H,3-10H2,1-2H3
InChIKeyPMIVFDZUYKYOMZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.64
Rot. Bonds5

About [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone

[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119789495) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone
PubChem CID119789495
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESCC(C)CCOC1CCN(C(=O)C2CNCCO2)C1
InChIInChI=1S/C14H26N2O3/c1-11(2)4-7-18-12-3-6-16(10-12)14(17)13-9-15-5-8-19-13/h11-13,15H,3-10H2,1-2H3
InChIKeyPMIVFDZUYKYOMZ-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 120793668
[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119149844
morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
CID 119817077
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119880227
[(3S)-3-hydroxypiperidin-1-yl]-morpholin-2-ylmethanone
CID 107222846
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119896717
[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119838568
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
(3-ethyl-4-phenylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 119817683
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 119789465
(4,4-diethylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 55160831

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone (CID 119789495) is [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone is CC(C)CCOC1CCN(C(=O)C2CNCCO2)C1.
What is the InChIKey of [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is PMIVFDZUYKYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)4-7-18-12-3-6-16(10-12)14(17)13-9-15-5-8-19-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone?
[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 270.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119789495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).