[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate

C22H28F3N3O3 — CID 151811128

IUPAC[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(N2CCC[C@@]3(CCN(C4CCCCC4)C3=O)C2)c(C(F)(F)F)c1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)17-13-16(31-20(26)30)7-8-18(17)27-11-4-9-21(14-27)10-12-28(19(21)29)15-5-2-1-3-6-15/h7-8,13,15H,1-6,9-12,14H2,(H2,26,30)/t21-/m1/s1
InChIKeySAQBICNAPXJKTO-OAQYLSRUSA-N
MW439.48 g/mol
LogP4.31
Rot. Bonds3

About [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate

[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate (PubChem CID 151811128) has the molecular formula C22H28F3N3O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate
PubChem CID151811128
Molecular FormulaC22H28F3N3O3
Molecular Weight439.48 g/mol
Exact Mass439.21
IUPAC Name[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(N2CCC[C@@]3(CCN(C4CCCCC4)C3=O)C2)c(C(F)(F)F)c1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)17-13-16(31-20(26)30)7-8-18(17)27-11-4-9-21(14-27)10-12-28(19(21)29)15-5-2-1-3-6-15/h7-8,13,15H,1-6,9-12,14H2,(H2,26,30)/t21-/m1/s1
InChIKeySAQBICNAPXJKTO-OAQYLSRUSA-N
XLogP4.31
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate with MolForge

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Related Compounds

methyl N-[4-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 76677805
methyl N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl]carbamate
CID 58653373
[4-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl]-propylcarbamic acid
CID 66722237
[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
CID 142689608
[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl] N-methylcarbamate
CID 91531515
[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
CID 67503941
(5S)-9-(4-amino-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722729
[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate
CID 142689599
[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate
CID 91614511
(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethoxy)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653502
9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722375
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
CID 11524500

Frequently Asked Questions

What is the IUPAC name of [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate (CID 151811128) is [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate is NC(=O)Oc1ccc(N2CCC[C@@]3(CCN(C4CCCCC4)C3=O)C2)c(C(F)(F)F)c1.
What is the InChIKey of [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate?
The InChIKey is SAQBICNAPXJKTO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28F3N3O3/c23-22(24,25)17-13-16(31-20(26)30)7-8-18(17)27-11-4-9-21(14-27)10-12-28(19(21)29)15-5-2-1-3-6-15/h7-8,13,15H,1-6,9-12,14H2,(H2,26,30)/t21-/m1/s1.
What are the key properties of [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate?
[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate has a molecular weight of 439.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 151811128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).