10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione

C23H33N3O4 — CID 21287199

IUPAC10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CCCOC2C(=O)NC(=O)CC23CCCC3)CC1
InChIInChI=1S/C23H33N3O4/c1-29-19-8-3-2-7-18(19)26-14-12-25(13-15-26)11-6-16-30-21-22(28)24-20(27)17-23(21)9-4-5-10-23/h2-3,7-8,21H,4-6,9-17H2,1H3,(H,24,27,28)
InChIKeyPOSNBCPOGWNPSY-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.20
Rot. Bonds7

About 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione

10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 21287199) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID21287199
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CCCOC2C(=O)NC(=O)CC23CCCC3)CC1
InChIInChI=1S/C23H33N3O4/c1-29-19-8-3-2-7-18(19)26-14-12-25(13-15-26)11-6-16-30-21-22(28)24-20(27)17-23(21)9-4-5-10-23/h2-3,7-8,21H,4-6,9-17H2,1H3,(H,24,27,28)
InChIKeyPOSNBCPOGWNPSY-UHFFFAOYSA-N
XLogP2.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
CID 14280603
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]isoindole-1,3-dione
CID 19972356
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate
CID 10551106

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione (CID 21287199) is 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione is COc1ccccc1N1CCN(CCCOC2C(=O)NC(=O)CC23CCCC3)CC1.
What is the InChIKey of 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is POSNBCPOGWNPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-29-19-8-3-2-7-18(19)26-14-12-25(13-15-26)11-6-16-30-21-22(28)24-20(27)17-23(21)9-4-5-10-23/h2-3,7-8,21H,4-6,9-17H2,1H3,(H,24,27,28).
What are the key properties of 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione?
10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 415.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 21287199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).