6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

C31H48ClN5O2 — CID 146492953

IUPAC6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(C3NCNCC34CCCCCCCCCC4)C2)C1=O
InChIInChI=1S/C31H48ClN5O2/c1-24(2)36-20-27(38)37(19-25-11-13-26(32)14-12-25)31(29(36)39)17-18-35(22-31)28-30(21-33-23-34-28)15-9-7-5-3-4-6-8-10-16-30/h11-14,24,28,33-34H,3-10,15-23H2,1-2H3
InChIKeyYNVNTJPGKVVFPW-UHFFFAOYSA-N
MW558.21 g/mol
LogP4.74
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (PubChem CID 146492953) has the molecular formula C31H48ClN5O2 and a molecular weight of 558.21 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
PubChem CID146492953
Molecular FormulaC31H48ClN5O2
Molecular Weight558.21 g/mol
Exact Mass557.35
IUPAC Name6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(C3NCNCC34CCCCCCCCCC4)C2)C1=O
InChIInChI=1S/C31H48ClN5O2/c1-24(2)36-20-27(38)37(19-25-11-13-26(32)14-12-25)31(29(36)39)17-18-35(22-31)28-30(21-33-23-34-28)15-9-7-5-3-4-6-8-10-16-30/h11-14,24,28,33-34H,3-10,15-23H2,1-2H3
InChIKeyYNVNTJPGKVVFPW-UHFFFAOYSA-N
XLogP4.74
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.21
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146493171
6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146465032
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146465606
5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146465481
N-ethyl-7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 146465050
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
CID 146425889
methyl 7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146465442
4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 161375306
6-[(4-chlorophenyl)methyl]-N-methyl-9-(4-nitrophenyl)-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide;6-[(4-chlorophenyl)methyl]-9-(4-nitrophenyl)-2,6,9-triazaspiro[4.5]decane-7,10-dione;methylimino(oxo)methane
CID 161430316
tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane
CID 159585166
6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 153473191
6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 167201518

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (CID 146492953) is 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is CC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(C3NCNCC34CCCCCCCCCC4)C2)C1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The InChIKey is YNVNTJPGKVVFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48ClN5O2/c1-24(2)36-20-27(38)37(19-25-11-13-26(32)14-12-25)31(29(36)39)17-18-35(22-31)28-30(21-33-23-34-28)15-9-7-5-3-4-6-8-10-16-30/h11-14,24,28,33-34H,3-10,15-23H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione has a molecular weight of 558.21 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 146492953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).