morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone

C22H26N2O5 — CID 43064177

IUPACmorpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone
SMILESO=C(c1occc1COc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C22H26N2O5/c25-21(23-10-13-27-14-11-23)17-5-4-9-24(15-17)22(26)20-18(8-12-28-20)16-29-19-6-2-1-3-7-19/h1-3,6-8,12,17H,4-5,9-11,13-16H2
InChIKeyKISCJDLFIAGQLG-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.57
Rot. Bonds5

About morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone

morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone (PubChem CID 43064177) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone
PubChem CID43064177
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Namemorpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone
SMILESO=C(c1occc1COc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C22H26N2O5/c25-21(23-10-13-27-14-11-23)17-5-4-9-24(15-17)22(26)20-18(8-12-28-20)16-29-19-6-2-1-3-7-19/h1-3,6-8,12,17H,4-5,9-11,13-16H2
InChIKeyKISCJDLFIAGQLG-UHFFFAOYSA-N
XLogP2.57
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 166315551
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
[3-(phenoxymethyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997487
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone (CID 43064177) is morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone is O=C(c1occc1COc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
The InChIKey is KISCJDLFIAGQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c25-21(23-10-13-27-14-11-23)17-5-4-9-24(15-17)22(26)20-18(8-12-28-20)16-29-19-6-2-1-3-7-19/h1-3,6-8,12,17H,4-5,9-11,13-16H2.
What are the key properties of morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone has a molecular weight of 398.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43064177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).