(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one

C26H38N4O3 — CID 58653605

IUPAC(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1N1CCN(C(=O)N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)CC1
InChIInChI=1S/C26H38N4O3/c1-20-5-2-3-6-23(20)27-15-17-28(18-16-27)25(33)29-13-4-11-26(19-29)12-14-30(24(26)32)21-7-9-22(31)10-8-21/h2-3,5-6,21-22,31H,4,7-19H2,1H3/t21?,22?,26-/m1/s1
InChIKeyJCPMZCUCXFDRMX-AJEPASEPSA-N
MW454.62 g/mol
LogP2.86
Rot. Bonds2

About (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one

(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653605) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653605
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1N1CCN(C(=O)N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)CC1
InChIInChI=1S/C26H38N4O3/c1-20-5-2-3-6-23(20)27-15-17-28(18-16-27)25(33)29-13-4-11-26(19-29)12-14-30(24(26)32)21-7-9-22(31)10-8-21/h2-3,5-6,21-22,31H,4,7-19H2,1H3/t21?,22?,26-/m1/s1
InChIKeyJCPMZCUCXFDRMX-AJEPASEPSA-N
XLogP2.86
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

2-Cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 11511544
2-(4-Hydroxycyclohexyl)-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 11562515
2-(trans-4-Hydroxycyclohexyl)-7-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.5]decan-1-one
CID 11574792
9-(3-Fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11624388
9-(4-Fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11653131
9-[4-(2-Fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11662551
(5S)-9-(2,5-difluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970645
2-(4-Hydroxycyclohexyl)-9-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 57970698
(5S)-9-(2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970715
(5S)-7-(2-Fluoro-4-methylphenyl)-2-(trans-4-hydroxycyclohexyl)-2,7-diazaspiro[4.5]decan-1-one
CID 57970722
(5S)-2-(4-hydroxycyclohexyl)-9-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 57970746
(5S)-9-(2,3-difluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970782

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one (CID 58653605) is (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1ccccc1N1CCN(C(=O)N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)CC1.
What is the InChIKey of (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JCPMZCUCXFDRMX-AJEPASEPSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-20-5-2-3-6-23(20)27-15-17-28(18-16-27)25(33)29-13-4-11-26(19-29)12-14-30(24(26)32)21-7-9-22(31)10-8-21/h2-3,5-6,21-22,31H,4,7-19H2,1H3/t21?,22?,26-/m1/s1.
What are the key properties of (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 454.62 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).