[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone

C17H31N3O3 — CID 138050785

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
SMILESCNCC1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1
InChIInChI=1S/C17H31N3O3/c1-18-11-14-3-2-6-20(12-14)17(21)16-5-4-15(23-16)13-19-7-9-22-10-8-19/h14-16,18H,2-13H2,1H3/t14?,15-,16+/m1/s1
InChIKeyFBKWCHBSQIBMAF-JAIYHHTPSA-N
MW325.45 g/mol
LogP0.32
Rot. Bonds5

About [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone

[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone (PubChem CID 138050785) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
PubChem CID138050785
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
SMILESCNCC1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1
InChIInChI=1S/C17H31N3O3/c1-18-11-14-3-2-6-20(12-14)17(21)16-5-4-15(23-16)13-19-7-9-22-10-8-19/h14-16,18H,2-13H2,1H3/t14?,15-,16+/m1/s1
InChIKeyFBKWCHBSQIBMAF-JAIYHHTPSA-N
XLogP0.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone with MolForge

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395506
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
CID 154781675
[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686928

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone (CID 138050785) is [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone is CNCC1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
The InChIKey is FBKWCHBSQIBMAF-JAIYHHTPSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-18-11-14-3-2-6-20(12-14)17(21)16-5-4-15(23-16)13-19-7-9-22-10-8-19/h14-16,18H,2-13H2,1H3/t14?,15-,16+/m1/s1.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone has a molecular weight of 325.45 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone is sourced from PubChem (CID 138050785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).