N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C20H21FN4O2 — CID 6623822

IUPACN-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H21FN4O2/c21-15-6-8-16(9-7-15)23-19(27)24-12-10-20(11-13-24)18(26)22-14-25(20)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,26)(H,23,27)
InChIKeyUQRVBFSNMLENPO-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.79
Rot. Bonds2

About N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 6623822) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID6623822
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H21FN4O2/c21-15-6-8-16(9-7-15)23-19(27)24-12-10-20(11-13-24)18(26)22-14-25(20)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,26)(H,23,27)
InChIKeyUQRVBFSNMLENPO-UHFFFAOYSA-N
XLogP2.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 6623822) is N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is UQRVBFSNMLENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-15-6-8-16(9-7-15)23-19(27)24-12-10-20(11-13-24)18(26)22-14-25(20)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,26)(H,23,27).
What are the key properties of N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 6623822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).