[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C19H28N2O3 — CID 883926

IUPAC[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-24-18-5-3-16(4-6-18)15-20-9-7-17(8-10-20)19(22)21-11-13-23-14-12-21/h3-6,17H,2,7-15H2,1H3
InChIKeyZOSHGDUFEHAYHL-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.16
Rot. Bonds5

About [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 883926) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID883926
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-24-18-5-3-16(4-6-18)15-20-9-7-17(8-10-20)19(22)21-11-13-23-14-12-21/h3-6,17H,2,7-15H2,1H3
InChIKeyZOSHGDUFEHAYHL-UHFFFAOYSA-N
XLogP2.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;oxalic acid
CID 171151329
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 883926) is [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is CCOc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZOSHGDUFEHAYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-24-18-5-3-16(4-6-18)15-20-9-7-17(8-10-20)19(22)21-11-13-23-14-12-21/h3-6,17H,2,7-15H2,1H3.
What are the key properties of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 332.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 883926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).