[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone

C16H23N3O3 — CID 119829383

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)C3COCCN3)CC2)c1
InChIInChI=1S/C16H23N3O3/c1-21-14-4-2-3-13(11-14)18-6-8-19(9-7-18)16(20)15-12-22-10-5-17-15/h2-4,11,15,17H,5-10,12H2,1H3
InChIKeyAUYJPCJCOSXMQI-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.33
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone

[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119829383) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119829383
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)C3COCCN3)CC2)c1
InChIInChI=1S/C16H23N3O3/c1-21-14-4-2-3-13(11-14)18-6-8-19(9-7-18)16(20)15-12-22-10-5-17-15/h2-4,11,15,17H,5-10,12H2,1H3
InChIKeyAUYJPCJCOSXMQI-UHFFFAOYSA-N
XLogP0.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 124686188
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone
CID 119678670
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
CID 134067077
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710613
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
(1S,2S,3S,4R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27519473

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone (CID 119829383) is [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone is COc1cccc(N2CCN(C(=O)C3COCCN3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is AUYJPCJCOSXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-14-4-2-3-13(11-14)18-6-8-19(9-7-18)16(20)15-12-22-10-5-17-15/h2-4,11,15,17H,5-10,12H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119829383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).