[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone

C29H36N4O3 — CID 45173328

IUPAC[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCC2(CC1)CC2C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H36N4O3/c34-27(23-6-8-25(9-7-23)31-18-20-36-21-19-31)32-12-10-29(11-13-32)22-26(29)28(35)33-16-14-30(15-17-33)24-4-2-1-3-5-24/h1-9,26H,10-22H2
InChIKeyZKUNQAFBEPKXKZ-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.11
Rot. Bonds4

About [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 45173328) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID45173328
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCC2(CC1)CC2C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H36N4O3/c34-27(23-6-8-25(9-7-23)31-18-20-36-21-19-31)32-12-10-29(11-13-32)22-26(29)28(35)33-16-14-30(15-17-33)24-4-2-1-3-5-24/h1-9,26H,10-22H2
InChIKeyZKUNQAFBEPKXKZ-UHFFFAOYSA-N
XLogP3.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[6-[(2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 126465552
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
[(2S)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 125164187
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
[(2S)-6-benzoyl-6-azaspiro[2.5]octan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 125162163
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572

Frequently Asked Questions

What is the IUPAC name of [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 45173328) is [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(N2CCOCC2)cc1)N1CCC2(CC1)CC2C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZKUNQAFBEPKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c34-27(23-6-8-25(9-7-23)31-18-20-36-21-19-31)32-12-10-29(11-13-32)22-26(29)28(35)33-16-14-30(15-17-33)24-4-2-1-3-5-24/h1-9,26H,10-22H2.
What are the key properties of [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 488.63 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 45173328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).