3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane

C24H32N4O3 — CID 118716705

IUPAC3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1
InChIInChI=1S/C24H32N4O3/c1-29-22-7-3-2-6-21(22)27-16-14-26(15-17-27)18-20-19-30-24(31-20)9-12-28(13-10-24)23-8-4-5-11-25-23/h2-8,11,20H,9-10,12-19H2,1H3
InChIKeyFHQARSACZPJNBL-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.62
Rot. Bonds5

About 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane

3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 118716705) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID118716705
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1
InChIInChI=1S/C24H32N4O3/c1-29-22-7-3-2-6-21(22)27-16-14-26(15-17-27)18-20-19-30-24(31-20)9-12-28(13-10-24)23-8-4-5-11-25-23/h2-8,11,20H,9-10,12-19H2,1H3
InChIKeyFHQARSACZPJNBL-UHFFFAOYSA-N
XLogP2.62
TPSA50.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 2848878
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
N-(6-fluoro-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168282708
2-[4-(2-Methoxyphenyl)piperazin-1-yl]pyrazine
CID 2573790
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-
CID 382816
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-
CID 3077456
1-(2-Methyl-3,4-dihydro-2H-1,4-benzoxazin-4-YL)-4-[4-(pyridin-2-YL)piperazin-1-YL]butane-1,4-dione
CID 6625658
2-[4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168284109
2-[4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168288455
N-(2-methoxyphenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
CID 940716

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane (CID 118716705) is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1.
What is the InChIKey of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is FHQARSACZPJNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-29-22-7-3-2-6-21(22)27-16-14-26(15-17-27)18-20-19-30-24(31-20)9-12-28(13-10-24)23-8-4-5-11-25-23/h2-8,11,20H,9-10,12-19H2,1H3.
What are the key properties of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 424.55 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118716705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).