[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone

C24H32N2O4 — CID 46957572

IUPAC[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1OCC1CCCN(C(=O)c2cc(CN3CCOCC3)c(C)o2)C1
InChIInChI=1S/C24H32N2O4/c1-18-6-3-4-8-22(18)29-17-20-7-5-9-26(15-20)24(27)23-14-21(19(2)30-23)16-25-10-12-28-13-11-25/h3-4,6,8,14,20H,5,7,9-13,15-17H2,1-2H3
InChIKeyMUQKVCDQNSXAEU-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.66
Rot. Bonds6

About [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone

[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 46957572) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID46957572
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1OCC1CCCN(C(=O)c2cc(CN3CCOCC3)c(C)o2)C1
InChIInChI=1S/C24H32N2O4/c1-18-6-3-4-8-22(18)29-17-20-7-5-9-26(15-20)24(27)23-14-21(19(2)30-23)16-25-10-12-28-13-11-25/h3-4,6,8,14,20H,5,7,9-13,15-17H2,1-2H3
InChIKeyMUQKVCDQNSXAEU-UHFFFAOYSA-N
XLogP3.66
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 46972019
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
2-(2-methylphenyl)-1-[3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150172
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138385868
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[3-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 51586964
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339997
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118787801
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone;hydrochloride
CID 154889232

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 46957572) is [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone is Cc1ccccc1OCC1CCCN(C(=O)c2cc(CN3CCOCC3)c(C)o2)C1.
What is the InChIKey of [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is MUQKVCDQNSXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-18-6-3-4-8-22(18)29-17-20-7-5-9-26(15-20)24(27)23-14-21(19(2)30-23)16-25-10-12-28-13-11-25/h3-4,6,8,14,20H,5,7,9-13,15-17H2,1-2H3.
What are the key properties of [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 412.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46957572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).