8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

C22H35N3O — CID 118745369

IUPAC8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(CN2CCC3(CC2)CC(N2CCN(C)CC2)CO3)cc1
InChIInChI=1S/C22H35N3O/c1-3-19-4-6-20(7-5-19)17-24-10-8-22(9-11-24)16-21(18-26-22)25-14-12-23(2)13-15-25/h4-7,21H,3,8-18H2,1-2H3
InChIKeyFZDIZFYEKKUINB-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.62
Rot. Bonds4

About 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745369) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745369
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(CN2CCC3(CC2)CC(N2CCN(C)CC2)CO3)cc1
InChIInChI=1S/C22H35N3O/c1-3-19-4-6-20(7-5-19)17-24-10-8-22(9-11-24)16-21(18-26-22)25-14-12-23(2)13-15-25/h4-7,21H,3,8-18H2,1-2H3
InChIKeyFZDIZFYEKKUINB-UHFFFAOYSA-N
XLogP2.62
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 118745369) is 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is CCc1ccc(CN2CCC3(CC2)CC(N2CCN(C)CC2)CO3)cc1.
What is the InChIKey of 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is FZDIZFYEKKUINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-3-19-4-6-20(7-5-19)17-24-10-8-22(9-11-24)16-21(18-26-22)25-14-12-23(2)13-15-25/h4-7,21H,3,8-18H2,1-2H3.
What are the key properties of 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 357.54 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).