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

C17H24N2O3 — CID 11573068

IUPAC[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(N2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-4-2-3-15(13-16)18-7-5-14(6-8-18)17(20)19-9-11-22-12-10-19/h2-4,13-14H,5-12H2,1H3
InChIKeyWROQXRGCWYLAAA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.77
Rot. Bonds3

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

[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 11573068) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID11573068
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(N2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-4-2-3-15(13-16)18-7-5-14(6-8-18)17(20)19-9-11-22-12-10-19/h2-4,13-14H,5-12H2,1H3
InChIKeyWROQXRGCWYLAAA-UHFFFAOYSA-N
XLogP1.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 50771965
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
(1S,2S,3S,4R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27519473
3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379074
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 11573068) is [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone is COc1cccc(N2CCC(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is WROQXRGCWYLAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-4-2-3-15(13-16)18-7-5-14(6-8-18)17(20)19-9-11-22-12-10-19/h2-4,13-14H,5-12H2,1H3.
What are the key properties of [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11573068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).