morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone

C19H22N2O3S — CID 91919055

IUPACmorpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone
SMILESO=C(c1cccc(OC2CN(Cc3cccs3)C2)c1)N1CCOCC1
InChIInChI=1S/C19H22N2O3S/c22-19(21-6-8-23-9-7-21)15-3-1-4-16(11-15)24-17-12-20(13-17)14-18-5-2-10-25-18/h1-5,10-11,17H,6-9,12-14H2
InChIKeyMPOYWUBZWBKQCQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.48
Rot. Bonds5

About morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone

morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone (PubChem CID 91919055) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone
PubChem CID91919055
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Namemorpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone
SMILESO=C(c1cccc(OC2CN(Cc3cccs3)C2)c1)N1CCOCC1
InChIInChI=1S/C19H22N2O3S/c22-19(21-6-8-23-9-7-21)15-3-1-4-16(11-15)24-17-12-20(13-17)14-18-5-2-10-25-18/h1-5,10-11,17H,6-9,12-14H2
InChIKeyMPOYWUBZWBKQCQ-UHFFFAOYSA-N
XLogP2.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
CID 24791164
morpholin-4-yl-[3-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42466032
1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 122135504
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 38491610
(3S)-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124703583
(3S,4S)-4-methyl-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953537
[3-[1-(cyclohex-3-en-1-ylmethyl)azetidin-3-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 91919018
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1-[(3R)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92900742
N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443461
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone (CID 91919055) is morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone is O=C(c1cccc(OC2CN(Cc3cccs3)C2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone?
The InChIKey is MPOYWUBZWBKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(21-6-8-23-9-7-21)15-3-1-4-16(11-15)24-17-12-20(13-17)14-18-5-2-10-25-18/h1-5,10-11,17H,6-9,12-14H2.
What are the key properties of morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone?
morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone has a molecular weight of 358.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone is sourced from PubChem (CID 91919055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).