N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H28FN3O3 — CID 24952031

IUPACN-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(NC1CCCC1)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(O)cc1
InChIInChI=1S/C25H28FN3O3/c26-18-7-9-20(10-8-18)29-22(17-5-11-21(30)12-6-17)25(23(29)31)13-15-28(16-14-25)24(32)27-19-3-1-2-4-19/h5-12,19,22,30H,1-4,13-16H2,(H,27,32)
InChIKeyMQMYQXRHQKPQTL-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.35
Rot. Bonds3

About N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24952031) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24952031
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(NC1CCCC1)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(O)cc1
InChIInChI=1S/C25H28FN3O3/c26-18-7-9-20(10-8-18)29-22(17-5-11-21(30)12-6-17)25(23(29)31)13-15-28(16-14-25)24(32)27-19-3-1-2-4-19/h5-12,19,22,30H,1-4,13-16H2,(H,27,32)
InChIKeyMQMYQXRHQKPQTL-UHFFFAOYSA-N
XLogP4.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24952031) is N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(NC1CCCC1)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(O)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is MQMYQXRHQKPQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-18-7-9-20(10-8-18)29-22(17-5-11-21(30)12-6-17)25(23(29)31)13-15-28(16-14-25)24(32)27-19-3-1-2-4-19/h5-12,19,22,30H,1-4,13-16H2,(H,27,32).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24952031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).