cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C26H37FN2O2 — CID 91919179

IUPACcyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C26H37FN2O2/c27-22-8-6-20(7-9-22)19-29(23-10-11-23)24-12-17-31-26(18-24)13-15-28(16-14-26)25(30)21-4-2-1-3-5-21/h6-9,21,23-24H,1-5,10-19H2
InChIKeyCKDCRMGCFDCVBA-UHFFFAOYSA-N
MW428.59 g/mol
LogP4.91
Rot. Bonds5

About cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 91919179) has the molecular formula C26H37FN2O2 and a molecular weight of 428.59 g/mol. Its IUPAC name is cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID91919179
Molecular FormulaC26H37FN2O2
Molecular Weight428.59 g/mol
Exact Mass428.28
IUPAC Namecyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C26H37FN2O2/c27-22-8-6-20(7-9-22)19-29(23-10-11-23)24-12-17-31-26(18-24)13-15-28(16-14-26)25(30)21-4-2-1-3-5-21/h6-9,21,23-24H,1-5,10-19H2
InChIKeyCKDCRMGCFDCVBA-UHFFFAOYSA-N
XLogP4.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 91919179) is cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(C1CCCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is CKDCRMGCFDCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O2/c27-22-8-6-20(7-9-22)19-29(23-10-11-23)24-12-17-31-26(18-24)13-15-28(16-14-26)25(30)21-4-2-1-3-5-21/h6-9,21,23-24H,1-5,10-19H2.
What are the key properties of cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 428.59 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 91919179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).