3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one

C26H32N4O3 — CID 45193412

IUPAC3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC2(CC1)CC2C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H32N4O3/c31-24(9-19-33-21-6-2-1-3-7-21)29-13-10-26(11-14-29)20-22(26)25(32)30-17-15-28(16-18-30)23-8-4-5-12-27-23/h1-8,12,22H,9-11,13-20H2
InChIKeyHYPCOASUQUVISG-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.83
Rot. Bonds6

About 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one

3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one (PubChem CID 45193412) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
PubChem CID45193412
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC2(CC1)CC2C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H32N4O3/c31-24(9-19-33-21-6-2-1-3-7-21)29-13-10-26(11-14-29)20-22(26)25(32)30-17-15-28(16-18-30)23-8-4-5-12-27-23/h1-8,12,22H,9-11,13-20H2
InChIKeyHYPCOASUQUVISG-UHFFFAOYSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one with MolForge

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Related Compounds

3-(4-methylphenyl)-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
CID 45176521
(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
CID 26349857
3-phenyl-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one
CID 42430237
3-(2-phenoxyethylsulfanyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86931302
(E)-4-methyl-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]pent-2-en-1-one
CID 45176071
(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42272774
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
ethyl 4-[[(2R)-6-(3-phenoxypropanoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42539034
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-[2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-3-phenylpropan-1-one
CID 126466867

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one (CID 45193412) is 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one is O=C(CCOc1ccccc1)N1CCC2(CC1)CC2C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
The InChIKey is HYPCOASUQUVISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c31-24(9-19-33-21-6-2-1-3-7-21)29-13-10-26(11-14-29)20-22(26)25(32)30-17-15-28(16-18-30)23-8-4-5-12-27-23/h1-8,12,22H,9-11,13-20H2.
What are the key properties of 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one has a molecular weight of 448.57 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one is sourced from PubChem (CID 45193412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).