[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C19H28N2O4 — CID 2187036

IUPAC[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(CN2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C19H28N2O4/c1-23-17-3-4-18(24-2)16(13-17)14-20-7-5-15(6-8-20)19(22)21-9-11-25-12-10-21/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyFCOASWNAZNUYAB-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.77
Rot. Bonds5

About [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 2187036) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID2187036
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(CN2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C19H28N2O4/c1-23-17-3-4-18(24-2)16(13-17)14-20-7-5-15(6-8-20)19(22)21-9-11-25-12-10-21/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyFCOASWNAZNUYAB-UHFFFAOYSA-N
XLogP1.77
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55853822
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
CID 150562472
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 112839735
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 2187036) is [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is COc1ccc(OC)c(CN2CCC(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FCOASWNAZNUYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-17-3-4-18(24-2)16(13-17)14-20-7-5-15(6-8-20)19(22)21-9-11-25-12-10-21/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 348.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2187036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).