[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

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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).