(3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one

C20H27ClN2O2 — CID 24759088

IUPAC(3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O2/c21-16-8-6-15(7-9-16)13-22-14-18(24)12-20(22)10-11-23(19(20)25)17-4-2-1-3-5-17/h6-9,17-18,24H,1-5,10-14H2/t18-,20?/m1/s1
InChIKeyLJRACTJNWALOQM-QSVWIEALSA-N
MW362.90 g/mol
LogP3.21
Rot. Bonds3

About (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one

(3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759088) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759088
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O2/c21-16-8-6-15(7-9-16)13-22-14-18(24)12-20(22)10-11-23(19(20)25)17-4-2-1-3-5-17/h6-9,17-18,24H,1-5,10-14H2/t18-,20?/m1/s1
InChIKeyLJRACTJNWALOQM-QSVWIEALSA-N
XLogP3.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one (CID 24759088) is (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1ccc(Cl)cc1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is LJRACTJNWALOQM-QSVWIEALSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-16-8-6-15(7-9-16)13-22-14-18(24)12-20(22)10-11-23(19(20)25)17-4-2-1-3-5-17/h6-9,17-18,24H,1-5,10-14H2/t18-,20?/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
(3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 362.90 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).