N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine

C19H25FN4O — CID 131651465

IUPACN-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCn1ccnc1CN1CCCC2(CC(Nc3cccc(F)c3)CO2)C1
InChIInChI=1S/C19H25FN4O/c1-23-9-7-21-18(23)12-24-8-3-6-19(14-24)11-17(13-25-19)22-16-5-2-4-15(20)10-16/h2,4-5,7,9-10,17,22H,3,6,8,11-14H2,1H3
InChIKeyLJPPRQLPFMBQDS-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.79
Rot. Bonds4

About N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine

N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 131651465) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID131651465
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCn1ccnc1CN1CCCC2(CC(Nc3cccc(F)c3)CO2)C1
InChIInChI=1S/C19H25FN4O/c1-23-9-7-21-18(23)12-24-8-3-6-19(14-24)11-17(13-25-19)22-16-5-2-4-15(20)10-16/h2,4-5,7,9-10,17,22H,3,6,8,11-14H2,1H3
InChIKeyLJPPRQLPFMBQDS-UHFFFAOYSA-N
XLogP2.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 131651465) is N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine is Cn1ccnc1CN1CCCC2(CC(Nc3cccc(F)c3)CO2)C1.
What is the InChIKey of N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is LJPPRQLPFMBQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-23-9-7-21-18(23)12-24-8-3-6-19(14-24)11-17(13-25-19)22-16-5-2-4-15(20)10-16/h2,4-5,7,9-10,17,22H,3,6,8,11-14H2,1H3.
What are the key properties of N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine?
N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 344.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131651465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).