2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one

C20H27ClN2O2 — CID 70770158

IUPAC2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H27ClN2O2/c1-19(2,3)18(25)22-10-8-20(9-11-22)12-17(24)23(14-20)13-15-4-6-16(21)7-5-15/h4-7H,8-14H2,1-3H3
InChIKeyDJSBKGQBNYPVNQ-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.73
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70770158) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70770158
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H27ClN2O2/c1-19(2,3)18(25)22-10-8-20(9-11-22)12-17(24)23(14-20)13-15-4-6-16(21)7-5-15/h4-7H,8-14H2,1-3H3
InChIKeyDJSBKGQBNYPVNQ-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70770158) is 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)(C)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DJSBKGQBNYPVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-19(2,3)18(25)22-10-8-20(9-11-22)12-17(24)23(14-20)13-15-4-6-16(21)7-5-15/h4-7H,8-14H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.90 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-(2,2-dimethylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70770158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).