[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone

C24H40N2O3 — CID 170359804

IUPAC[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone
SMILESCC(C)COCc1ccc(C(=O)N2CCN(CCCCCOC(C)C)CC2)cc1
InChIInChI=1S/C24H40N2O3/c1-20(2)18-28-19-22-8-10-23(11-9-22)24(27)26-15-13-25(14-16-26)12-6-5-7-17-29-21(3)4/h8-11,20-21H,5-7,12-19H2,1-4H3
InChIKeyFCHJXNIYNYNQQI-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.21
Rot. Bonds12

About [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone

[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone (PubChem CID 170359804) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone
PubChem CID170359804
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone
SMILESCC(C)COCc1ccc(C(=O)N2CCN(CCCCCOC(C)C)CC2)cc1
InChIInChI=1S/C24H40N2O3/c1-20(2)18-28-19-22-8-10-23(11-9-22)24(27)26-15-13-25(14-16-26)12-6-5-7-17-29-21(3)4/h8-11,20-21H,5-7,12-19H2,1-4H3
InChIKeyFCHJXNIYNYNQQI-UHFFFAOYSA-N
XLogP4.21
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.21
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

1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
[4-(2-methylpropyl)phenyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 86846924
azepan-1-yl-[4-(propan-2-yloxymethyl)phenyl]methanone
CID 60646026
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
CID 10779884
phenyl-[4-(3-phenylmethoxypropyl)-1,4-diazepan-1-yl]methanone
CID 138387446
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-N-(2-propan-2-yloxyethyl)prop-2-enamide
CID 19099503
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 78849337
[4-[3-(4-benzoylpiperazin-1-yl)-2-hexoxypropyl]piperazin-1-yl]-phenylmethanone
CID 101339170
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone (CID 170359804) is [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone is CC(C)COCc1ccc(C(=O)N2CCN(CCCCCOC(C)C)CC2)cc1.
What is the InChIKey of [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone?
The InChIKey is FCHJXNIYNYNQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-20(2)18-28-19-22-8-10-23(11-9-22)24(27)26-15-13-25(14-16-26)12-6-5-7-17-29-21(3)4/h8-11,20-21H,5-7,12-19H2,1-4H3.
What are the key properties of [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone?
[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone has a molecular weight of 404.60 g/mol, XLogP of 4.21, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone is sourced from PubChem (CID 170359804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).