(3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one

C20H27FN2O2 — CID 24759424

IUPAC(3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1cccc(F)c1
InChIInChI=1S/C20H27FN2O2/c21-16-6-4-5-15(11-16)13-22-14-18(24)12-20(22)9-10-23(19(20)25)17-7-2-1-3-8-17/h4-6,11,17-18,24H,1-3,7-10,12-14H2/t18-,20?/m1/s1
InChIKeyXJVZSFNAEFRICA-QSVWIEALSA-N
MW346.45 g/mol
LogP2.70
Rot. Bonds3

About (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one

(3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759424) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759424
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name(3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1cccc(F)c1
InChIInChI=1S/C20H27FN2O2/c21-16-6-4-5-15(11-16)13-22-14-18(24)12-20(22)9-10-23(19(20)25)17-7-2-1-3-8-17/h4-6,11,17-18,24H,1-3,7-10,12-14H2/t18-,20?/m1/s1
InChIKeyXJVZSFNAEFRICA-QSVWIEALSA-N
XLogP2.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorobenzyl)-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
CID 24759088
(3R,5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
CID 168270670
(5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-3-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 168273139
(7R,8aS)-2-[(2-fluorophenyl)methyl]-7-hydroxy-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100613064
(3S,5R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
CID 168280620
(7R,8aS)-2-benzyl-7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 14914605
(7R,8aS)-2-butyl-1'-[(4-fluorophenyl)methyl]-7-hydroxyspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100609222
(7R,8aS)-1'-[(4-fluorophenyl)methyl]-7-hydroxy-2-methylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100609458
(7R,8aS)-2-benzyl-1'-[(4-fluorophenyl)methyl]-7-hydroxyspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100609687
(7R,8aS)-2-butyl-1'-[(3,4-difluorophenyl)methyl]-7-hydroxyspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100610535
(7R,8aS)-1'-[(3,4-difluorophenyl)methyl]-7-hydroxy-2-methylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100610800
(7R,8aS)-1'-[(3-fluorophenyl)methyl]-7-hydroxy-2-methylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100610833

Frequently Asked Questions

What is the IUPAC name of (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one (CID 24759424) is (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1cccc(F)c1.
What is the InChIKey of (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is XJVZSFNAEFRICA-QSVWIEALSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-16-6-4-5-15(11-16)13-22-14-18(24)12-20(22)9-10-23(19(20)25)17-7-2-1-3-8-17/h4-6,11,17-18,24H,1-3,7-10,12-14H2/t18-,20?/m1/s1.
What are the key properties of (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
(3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 346.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-cyclohexyl-1-[(3-fluorophenyl)methyl]-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).