1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride

C22H33ClN2O — CID 23298886

IUPAC1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride
SMILESCC(C)C1CCC(N2CCC3(CC2)CC(=O)N3c2ccccc2)CC1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-17(2)18-8-10-19(11-9-18)23-14-12-22(13-15-23)16-21(25)24(22)20-6-4-3-5-7-20;/h3-7,17-19H,8-16H2,1-2H3;1H
InChIKeyVLLLHOICJORDSQ-UHFFFAOYSA-N
MW376.97 g/mol
LogP4.89
Rot. Bonds3

About 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride

1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride (PubChem CID 23298886) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride
PubChem CID23298886
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride
SMILESCC(C)C1CCC(N2CCC3(CC2)CC(=O)N3c2ccccc2)CC1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-17(2)18-8-10-19(11-9-18)23-14-12-22(13-15-23)16-21(25)24(22)20-6-4-3-5-7-20;/h3-7,17-19H,8-16H2,1-2H3;1H
InChIKeyVLLLHOICJORDSQ-UHFFFAOYSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride?
The IUPAC name of 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride (CID 23298886) is 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride.
What is the SMILES notation for 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride?
The canonical SMILES for 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride is CC(C)C1CCC(N2CCC3(CC2)CC(=O)N3c2ccccc2)CC1.Cl.
What is the InChIKey of 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride?
The InChIKey is VLLLHOICJORDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.ClH/c1-17(2)18-8-10-19(11-9-18)23-14-12-22(13-15-23)16-21(25)24(22)20-6-4-3-5-7-20;/h3-7,17-19H,8-16H2,1-2H3;1H.
What are the key properties of 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride?
1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride has a molecular weight of 376.97 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride is sourced from PubChem (CID 23298886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).