8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one

C23H35N3O3 — CID 14280603

IUPAC8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
SMILESCOc1ccccc1N1CCN(CCCON2CCC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C23H35N3O3/c1-28-21-8-3-2-7-20(21)25-16-14-24(15-17-25)12-6-18-29-26-13-11-23(19-22(26)27)9-4-5-10-23/h2-3,7-8H,4-6,9-19H2,1H3
InChIKeyVWDWRPLKHXLHAD-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.32
Rot. Bonds7

About 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one

8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one (PubChem CID 14280603) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
PubChem CID14280603
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
SMILESCOc1ccccc1N1CCN(CCCON2CCC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C23H35N3O3/c1-28-21-8-3-2-7-20(21)25-16-14-24(15-17-25)12-6-18-29-26-13-11-23(19-22(26)27)9-4-5-10-23/h2-3,7-8H,4-6,9-19H2,1H3
InChIKeyVWDWRPLKHXLHAD-UHFFFAOYSA-N
XLogP3.32
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
9-acetyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 11201573
10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione
CID 21287199
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 10692544
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,4,6,6-tetramethylazepan-2-one
CID 139624835
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]isoindole-1,3-dione
CID 19972356
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one?
The IUPAC name of 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one (CID 14280603) is 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one.
What is the SMILES notation for 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one?
The canonical SMILES for 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one is COc1ccccc1N1CCN(CCCON2CCC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one?
The InChIKey is VWDWRPLKHXLHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-28-21-8-3-2-7-20(21)25-16-14-24(15-17-25)12-6-18-29-26-13-11-23(19-22(26)27)9-4-5-10-23/h2-3,7-8H,4-6,9-19H2,1H3.
What are the key properties of 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one?
8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one has a molecular weight of 401.55 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one is sourced from PubChem (CID 14280603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).