2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one

C20H31NO4 — CID 51107993

IUPAC2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCCOCCOC(C)C(=O)N1CCC(Cc2ccccc2OC)CC1
InChIInChI=1S/C20H31NO4/c1-4-24-13-14-25-16(2)20(22)21-11-9-17(10-12-21)15-18-7-5-6-8-19(18)23-3/h5-8,16-17H,4,9-15H2,1-3H3
InChIKeyBPVJRKGZNLXQRV-UHFFFAOYSA-N
MW349.47 g/mol
LogP2.92
Rot. Bonds9

About 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one

2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 51107993) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID51107993
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCCOCCOC(C)C(=O)N1CCC(Cc2ccccc2OC)CC1
InChIInChI=1S/C20H31NO4/c1-4-24-13-14-25-16(2)20(22)21-11-9-17(10-12-21)15-18-7-5-6-8-19(18)23-3/h5-8,16-17H,4,9-15H2,1-3H3
InChIKeyBPVJRKGZNLXQRV-UHFFFAOYSA-N
XLogP2.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 95278344
(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119769107
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791673
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
2-(2-ethoxyethoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 60546067
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one
CID 97064148
2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 41176180
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one (CID 51107993) is 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one is CCOCCOC(C)C(=O)N1CCC(Cc2ccccc2OC)CC1.
What is the InChIKey of 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is BPVJRKGZNLXQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-4-24-13-14-25-16(2)20(22)21-11-9-17(10-12-21)15-18-7-5-6-8-19(18)23-3/h5-8,16-17H,4,9-15H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one?
2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 349.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51107993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).