methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate

C19H28N2O5 — CID 97306458

IUPACmethyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1
InChIInChI=1S/C19H28N2O5/c1-13-9-20(10-14(2)26-13)11-15-4-6-21(7-5-15)18(22)17-8-16(12-25-17)19(23)24-3/h8,12-15H,4-7,9-11H2,1-3H3/t13-,14+
InChIKeyNVNNSINBKMFKPP-OKILXGFUSA-N
MW364.44 g/mol
LogP2.03
Rot. Bonds4

About methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate

methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate (PubChem CID 97306458) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate
PubChem CID97306458
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namemethyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1
InChIInChI=1S/C19H28N2O5/c1-13-9-20(10-14(2)26-13)11-15-4-6-21(7-5-15)18(22)17-8-16(12-25-17)19(23)24-3/h8,12-15H,4-7,9-11H2,1-3H3/t13-,14+
InChIKeyNVNNSINBKMFKPP-OKILXGFUSA-N
XLogP2.03
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290672
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290673
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95305749
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
CID 29183665
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate (CID 97306458) is methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate is COC(=O)c1coc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1.
What is the InChIKey of methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate?
The InChIKey is NVNNSINBKMFKPP-OKILXGFUSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13-9-20(10-14(2)26-13)11-15-4-6-21(7-5-15)18(22)17-8-16(12-25-17)19(23)24-3/h8,12-15H,4-7,9-11H2,1-3H3/t13-,14+.
What are the key properties of methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate?
methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate is sourced from PubChem (CID 97306458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).