(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C20H22FN3O — CID 97384074

IUPAC(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C20H22FN3O/c21-17-5-3-15(4-6-17)14-24-10-7-20(8-11-24)18(12-19(25)23-20)16-2-1-9-22-13-16/h1-6,9,13,18H,7-8,10-12,14H2,(H,23,25)/t18-/m0/s1
InChIKeyHDMLVMDVYQKGQZ-SFHVURJKSA-N
MW339.41 g/mol
LogP2.86
Rot. Bonds3

About (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97384074) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97384074
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C20H22FN3O/c21-17-5-3-15(4-6-17)14-24-10-7-20(8-11-24)18(12-19(25)23-20)16-2-1-9-22-13-16/h1-6,9,13,18H,7-8,10-12,14H2,(H,23,25)/t18-/m0/s1
InChIKeyHDMLVMDVYQKGQZ-SFHVURJKSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one 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

(4R)-8-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469841
8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131656109
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134074654
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155824762
(4S)-8-[(3-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469882
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131646046
8-benzyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155851559
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97384074) is (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1.
What is the InChIKey of (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HDMLVMDVYQKGQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-5-3-15(4-6-17)14-24-10-7-20(8-11-24)18(12-19(25)23-20)16-2-1-9-22-13-16/h1-6,9,13,18H,7-8,10-12,14H2,(H,23,25)/t18-/m0/s1.
What are the key properties of (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97384074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).