1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

C23H27ClN2O2 — CID 162634689

IUPAC1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(CCc2ccccc2)CCCC12CCCN2Cc1cccc(O)c1Cl
InChIInChI=1S/C23H27ClN2O2/c24-21-19(9-4-10-20(21)27)17-26-15-6-13-23(26)12-5-14-25(22(23)28)16-11-18-7-2-1-3-8-18/h1-4,7-10,27H,5-6,11-17H2
InChIKeyAVZLPHUWJHWMKX-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.25
Rot. Bonds5

About 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162634689) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162634689
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(CCc2ccccc2)CCCC12CCCN2Cc1cccc(O)c1Cl
InChIInChI=1S/C23H27ClN2O2/c24-21-19(9-4-10-20(21)27)17-26-15-6-13-23(26)12-5-14-25(22(23)28)16-11-18-7-2-1-3-8-18/h1-4,7-10,27H,5-6,11-17H2
InChIKeyAVZLPHUWJHWMKX-UHFFFAOYSA-N
XLogP4.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 122209783
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162634689) is 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1N(CCc2ccccc2)CCCC12CCCN2Cc1cccc(O)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is AVZLPHUWJHWMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-21-19(9-4-10-20(21)27)17-26-15-6-13-23(26)12-5-14-25(22(23)28)16-11-18-7-2-1-3-8-18/h1-4,7-10,27H,5-6,11-17H2.
What are the key properties of 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 398.93 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162634689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).