1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one

C20H27BrN2O — CID 67356061

IUPAC1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(Br)cc1
InChIInChI=1S/C20H27BrN2O/c21-17-9-7-16(8-10-17)15-22-13-4-11-20(22)12-14-23(19(20)24)18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2
InChIKeyDFISCEWUGKWPPM-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.35
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one

1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 67356061) has the molecular formula C20H27BrN2O and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID67356061
Molecular FormulaC20H27BrN2O
Molecular Weight391.35 g/mol
Exact Mass390.13
IUPAC Name1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(Br)cc1
InChIInChI=1S/C20H27BrN2O/c21-17-9-7-16(8-10-17)15-22-13-4-11-20(22)12-14-23(19(20)24)18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2
InChIKeyDFISCEWUGKWPPM-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one (CID 67356061) is 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is DFISCEWUGKWPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O/c21-17-9-7-16(8-10-17)15-22-13-4-11-20(22)12-14-23(19(20)24)18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one?
1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 391.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 67356061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).