6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione

C23H36ClN3O3 — CID 153473287

IUPAC6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
SMILESCC(C)N1CC(=O)N(CC2CCC(Cl)CC2)C2(CC(=O)N(C3CCCCC3)C2)C1=O
InChIInChI=1S/C23H36ClN3O3/c1-16(2)25-14-21(29)27(13-17-8-10-18(24)11-9-17)23(22(25)30)12-20(28)26(15-23)19-6-4-3-5-7-19/h16-19H,3-15H2,1-2H3
InChIKeyADDYKASKNAHPGA-UHFFFAOYSA-N
MW438.01 g/mol
LogP3.17
Rot. Bonds4

About 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione

6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione (PubChem CID 153473287) has the molecular formula C23H36ClN3O3 and a molecular weight of 438.01 g/mol. Its IUPAC name is 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione.

Molecular Properties

Compound Name6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
PubChem CID153473287
Molecular FormulaC23H36ClN3O3
Molecular Weight438.01 g/mol
Exact Mass437.24
IUPAC Name6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
SMILESCC(C)N1CC(=O)N(CC2CCC(Cl)CC2)C2(CC(=O)N(C3CCCCC3)C2)C1=O
InChIInChI=1S/C23H36ClN3O3/c1-16(2)25-14-21(29)27(13-17-8-10-18(24)11-9-17)23(22(25)30)12-20(28)26(15-23)19-6-4-3-5-7-19/h16-19H,3-15H2,1-2H3
InChIKeyADDYKASKNAHPGA-UHFFFAOYSA-N
XLogP3.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.01
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
CID 146425889
4-chloro-1-cyclohexylpyrrolidin-2-one
CID 168688489
3-[[2-(4-chlorocyclohexyl)-3,6-dioxo-4-propan-2-ylpiperazin-1-yl]methyl]cyclohexane-1-carbonitrile
CID 153473247
1-cyclooctylpyrrolidine-2,4-dione
CID 79516413
1-cyclohexyl-4-methylpiperazin-2-one
CID 58742110
methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate
CID 46949921
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one
CID 117023379
3-propan-2-yl-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-4-one
CID 22972607
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
The IUPAC name of 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione (CID 153473287) is 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione.
What is the SMILES notation for 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
The canonical SMILES for 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione is CC(C)N1CC(=O)N(CC2CCC(Cl)CC2)C2(CC(=O)N(C3CCCCC3)C2)C1=O.
What is the InChIKey of 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
The InChIKey is ADDYKASKNAHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClN3O3/c1-16(2)25-14-21(29)27(13-17-8-10-18(24)11-9-17)23(22(25)30)12-20(28)26(15-23)19-6-4-3-5-7-19/h16-19H,3-15H2,1-2H3.
What are the key properties of 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione?
6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione has a molecular weight of 438.01 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione is sourced from PubChem (CID 153473287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).