2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone

C22H37N3O4 — CID 99792270

IUPAC2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1
InChIInChI=1S/C22H37N3O4/c1-4-23(5-2)19-22(26)25-12-10-24(11-13-25)18-20-6-8-21(9-7-20)29-17-16-28-15-14-27-3/h6-9H,4-5,10-19H2,1-3H3
InChIKeyMIKAXDNWLNBBMC-UHFFFAOYSA-N
MW407.56 g/mol
LogP1.71
Rot. Bonds13

About 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone

2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 99792270) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID99792270
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Name2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1
InChIInChI=1S/C22H37N3O4/c1-4-23(5-2)19-22(26)25-12-10-24(11-13-25)18-20-6-8-21(9-7-20)29-17-16-28-15-14-27-3/h6-9H,4-5,10-19H2,1-3H3
InChIKeyMIKAXDNWLNBBMC-UHFFFAOYSA-N
XLogP1.71
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683207
3-(4-chlorophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 55712977
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide
CID 113173899
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
CID 110398877
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
tert-butyl 4-[[4-[2-(4-ethoxyphenoxy)ethyl]phenyl]methyl]piperazine-1-carboxylate
CID 140599250
1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848362

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone (CID 99792270) is 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone is CCN(CC)CC(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1.
What is the InChIKey of 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is MIKAXDNWLNBBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-4-23(5-2)19-22(26)25-12-10-24(11-13-25)18-20-6-8-21(9-7-20)29-17-16-28-15-14-27-3/h6-9H,4-5,10-19H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone?
2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 407.56 g/mol, XLogP of 1.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 99792270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).