oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C25H37N3O3 — CID 125462293

IUPACoxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccc3)CC1)CCO2
InChIInChI=1S/C25H37N3O3/c29-24(21-6-17-30-18-7-21)28-11-9-25(10-12-28)20-23(8-19-31-25)27-15-13-26(14-16-27)22-4-2-1-3-5-22/h1-5,21,23H,6-20H2/t23-/m1/s1
InChIKeyLORBMVAGJHDTIN-HSZRJFAPSA-N
MW427.59 g/mol
LogP2.78
Rot. Bonds3

About oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 125462293) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID125462293
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Nameoxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccc3)CC1)CCO2
InChIInChI=1S/C25H37N3O3/c29-24(21-6-17-30-18-7-21)28-11-9-25(10-12-28)20-23(8-19-31-25)27-15-13-26(14-16-27)22-4-2-1-3-5-22/h1-5,21,23H,6-20H2/t23-/m1/s1
InChIKeyLORBMVAGJHDTIN-HSZRJFAPSA-N
XLogP2.78
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone 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

cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
N-tert-butyl-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91924297
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
3-phenyl-1-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 125462444
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
CID 125462418
(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640193
(3-methylphenyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462402
(4-methoxyphenyl)-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462226
[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 125462383
(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 125461496
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 125462293) is oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(C1CCOCC1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccc3)CC1)CCO2.
What is the InChIKey of oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is LORBMVAGJHDTIN-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H37N3O3/c29-24(21-6-17-30-18-7-21)28-11-9-25(10-12-28)20-23(8-19-31-25)27-15-13-26(14-16-27)22-4-2-1-3-5-22/h1-5,21,23H,6-20H2/t23-/m1/s1.
What are the key properties of oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 427.59 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 125462293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).