6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

C22H36ClFN4O2 — CID 153473277

IUPAC6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-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(C3CCC(F)CN3)C2)C1=O
InChIInChI=1S/C22H36ClFN4O2/c1-15(2)27-13-20(29)28(12-16-3-5-17(23)6-4-16)22(21(27)30)9-10-26(14-22)19-8-7-18(24)11-25-19/h15-19,25H,3-14H2,1-2H3
InChIKeyLOGMGVQDHMETQE-UHFFFAOYSA-N
MW443.01 g/mol
LogP2.36
Rot. Bonds4

About 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (PubChem CID 153473277) has the molecular formula C22H36ClFN4O2 and a molecular weight of 443.01 g/mol. Its IUPAC name is 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
PubChem CID153473277
Molecular FormulaC22H36ClFN4O2
Molecular Weight443.01 g/mol
Exact Mass442.25
IUPAC Name6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-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(C3CCC(F)CN3)C2)C1=O
InChIInChI=1S/C22H36ClFN4O2/c1-15(2)27-13-20(29)28(12-16-3-5-17(23)6-4-16)22(21(27)30)9-10-26(14-22)19-8-7-18(24)11-25-19/h15-19,25H,3-14H2,1-2H3
InChIKeyLOGMGVQDHMETQE-UHFFFAOYSA-N
XLogP2.36
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.01
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (CID 153473277) is 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-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(C3CCC(F)CN3)C2)C1=O.
What is the InChIKey of 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The InChIKey is LOGMGVQDHMETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36ClFN4O2/c1-15(2)27-13-20(29)28(12-16-3-5-17(23)6-4-16)22(21(27)30)9-10-26(14-22)19-8-7-18(24)11-25-19/h15-19,25H,3-14H2,1-2H3.
What are the key properties of 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione has a molecular weight of 443.01 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorocyclohexyl)methyl]-2-(5-fluoropiperidin-2-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 153473277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).