[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone

C17H26N2O3 — CID 97147422

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H26N2O3/c1-13-10-19(11-14(2)22-13)17(20)15-5-7-18(8-6-15)12-16-4-3-9-21-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyMYFLXYLHDPJBBF-KBPBESRZSA-N
MW306.41 g/mol
LogP2.13
Rot. Bonds3

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone (PubChem CID 97147422) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
PubChem CID97147422
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H26N2O3/c1-13-10-19(11-14(2)22-13)17(20)15-5-7-18(8-6-15)12-16-4-3-9-21-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyMYFLXYLHDPJBBF-KBPBESRZSA-N
XLogP2.13
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 133120871
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
(5S)-7-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95707749
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97187338
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
CID 55916474
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70758520

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone (CID 97147422) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone is C[C@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H](C)O1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is MYFLXYLHDPJBBF-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-10-19(11-14(2)22-13)17(20)15-5-7-18(8-6-15)12-16-4-3-9-21-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 97147422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).