(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one

C18H25ClN2O — CID 99946061

IUPAC(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)N1C[C@@H](c2ccccc2Cl)C2(CCNCC2)C1=O
InChIInChI=1S/C18H25ClN2O/c1-17(2,3)21-12-14(13-6-4-5-7-15(13)19)18(16(21)22)8-10-20-11-9-18/h4-7,14,20H,8-12H2,1-3H3/t14-/m0/s1
InChIKeyNCEUNCYPXRQQJZ-AWEZNQCLSA-N
MW320.86 g/mol
LogP3.43
Rot. Bonds1

About (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one

(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 99946061) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID99946061
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)N1C[C@@H](c2ccccc2Cl)C2(CCNCC2)C1=O
InChIInChI=1S/C18H25ClN2O/c1-17(2,3)21-12-14(13-6-4-5-7-15(13)19)18(16(21)22)8-10-20-11-9-18/h4-7,14,20H,8-12H2,1-3H3/t14-/m0/s1
InChIKeyNCEUNCYPXRQQJZ-AWEZNQCLSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 99946083
(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 99946053
5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79454124
5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79454434
carboxy-[(3R)-1,3-ditert-butyl-6-(2,3-dichlorophenyl)-2-oxoazepan-3-yl]carbamic acid
CID 66939424
3'-(2-chlorophenyl)spiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
CID 105366329
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one
CID 23176760
1-(3-tert-butylcyclobutyl)-2-chlorobenzene
CID 135182977
4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892

Frequently Asked Questions

What is the IUPAC name of (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 99946061) is (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)(C)N1C[C@@H](c2ccccc2Cl)C2(CCNCC2)C1=O.
What is the InChIKey of (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NCEUNCYPXRQQJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-17(2,3)21-12-14(13-6-4-5-7-15(13)19)18(16(21)22)8-10-20-11-9-18/h4-7,14,20H,8-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 320.86 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 99946061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).