(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one

C28H34N2O2 — CID 110148718

IUPAC(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESCN1C(=O)CCC[C@]12CN(C(=O)C1(c3ccccc3)CCCCC1)C[C@H]2c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-29-25(31)16-11-19-28(29)21-30(20-24(28)22-12-5-2-6-13-22)26(32)27(17-9-4-10-18-27)23-14-7-3-8-15-23/h2-3,5-8,12-15,24H,4,9-11,16-21H2,1H3/t24-,28+/m0/s1
InChIKeyYXDFVECNQLSJBO-RBJSKKJNSA-N
MW430.59 g/mol
LogP4.90
Rot. Bonds3

About (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110148718) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110148718
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESCN1C(=O)CCC[C@]12CN(C(=O)C1(c3ccccc3)CCCCC1)C[C@H]2c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-29-25(31)16-11-19-28(29)21-30(20-24(28)22-12-5-2-6-13-22)26(32)27(17-9-4-10-18-27)23-14-7-3-8-15-23/h2-3,5-8,12-15,24H,4,9-11,16-21H2,1H3/t24-,28+/m0/s1
InChIKeyYXDFVECNQLSJBO-RBJSKKJNSA-N
XLogP4.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-2-(1-phenylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907513
(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
CID 110148310
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
(3aR,7aS)-5-methyl-2-(1-phenylcyclopentanecarbonyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 133132633
(3aR,6aR)-2-(2-hydroxyethyl)-5-(1-phenylcyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72870065
(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 151183103
(3aS,6aS)-5-(1-phenylcyclohexanecarbonyl)-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 162630294
(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one
CID 110148318
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
(5S)-7-(1-phenylcyclopentanecarbonyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 164635054
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
(3S,4S)-3-hydroxy-1-(1-phenylcyclohexanecarbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163307973

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one (CID 110148718) is (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one is CN1C(=O)CCC[C@]12CN(C(=O)C1(c3ccccc3)CCCCC1)C[C@H]2c1ccccc1.
What is the InChIKey of (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is YXDFVECNQLSJBO-RBJSKKJNSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-29-25(31)16-11-19-28(29)21-30(20-24(28)22-12-5-2-6-13-22)26(32)27(17-9-4-10-18-27)23-14-7-3-8-15-23/h2-3,5-8,12-15,24H,4,9-11,16-21H2,1H3/t24-,28+/m0/s1.
What are the key properties of (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 430.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110148718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).