(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H29FN2O2 — CID 25292551

IUPAC(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1CCCC1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1
InChIInChI=1S/C22H29FN2O2/c23-19-9-4-3-8-18(19)15-24-12-5-10-22(21(24)27)11-13-25(16-22)20(26)14-17-6-1-2-7-17/h3-4,8-9,17H,1-2,5-7,10-16H2/t22-/m1/s1
InChIKeyKXELUVNIGTXAPQ-JOCHJYFZSA-N
MW372.48 g/mol
LogP3.75
Rot. Bonds4

About (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25292551) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25292551
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1CCCC1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1
InChIInChI=1S/C22H29FN2O2/c23-19-9-4-3-8-18(19)15-24-12-5-10-22(21(24)27)11-13-25(16-22)20(26)14-17-6-1-2-7-17/h3-4,8-9,17H,1-2,5-7,10-16H2/t22-/m1/s1
InChIKeyKXELUVNIGTXAPQ-JOCHJYFZSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-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

(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126442122
(5S)-2-(cyclopentanecarbonyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298738
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126451477
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
(5R)-7-[(2-fluorophenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25446227
(5R)-7-[(2-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95730507
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459714
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-imidazole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45175530
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42567368
(5R)-7-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25294122
N-[2-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 45233045

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 25292551) is (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CC1CCCC1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1.
What is the InChIKey of (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KXELUVNIGTXAPQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29FN2O2/c23-19-9-4-3-8-18(19)15-24-12-5-10-22(21(24)27)11-13-25(16-22)20(26)14-17-6-1-2-7-17/h3-4,8-9,17H,1-2,5-7,10-16H2/t22-/m1/s1.
What are the key properties of (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25292551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).