4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

C27H33FN2O — CID 11407510

IUPAC4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)
InChIKeyHQSPTAIHUHMQIB-UHFFFAOYSA-N
MW420.57 g/mol
LogP5.29
Rot. Bonds3

About 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11407510) has the molecular formula C27H33FN2O and a molecular weight of 420.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11407510
Molecular FormulaC27H33FN2O
Molecular Weight420.57 g/mol
Exact Mass420.26
IUPAC Name4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)
InChIKeyHQSPTAIHUHMQIB-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(cis-4-Isopropylcyclohexyl)-1,2-dihydro-3H-spiro[isoquinoline-4,4'-piperidin]-3-one
CID 24776407
(1r,4's)-3,4-Dihydro-2h-Spiro[naphthalene-1,3'-Pyrrolidin]-4'-Yl[(2s,4r)-2,4-Diphenylpiperidin-1-Yl]methanone
CID 54765328
N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659185
N-[(3-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659186
CCR2 Antagonist
CID 44454820
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
Piperidine Derivative, 5q
CID 24776402
Piperidine Derivative, 5r
CID 24776403
Piperidine Derivative, 5t
CID 24776405
Piperidine Derivative, 5u
CID 24776406
Piperidine Derivative, 6f
CID 24776408
Piperidine Derivative, 6g
CID 24776409

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11407510) is 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HQSPTAIHUHMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 420.57 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11407510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).