2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one

C24H34N2O2 — CID 70722760

IUPAC2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C/C=C/c3ccccc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C24H34N2O2/c27-22-10-8-21(9-11-22)26-19-24(13-12-23(26)28)14-17-25(18-15-24)16-4-7-20-5-2-1-3-6-20/h1-7,21-22,27H,8-19H2/b7-4+
InChIKeyAVIIKHRIUKAKIO-QPJJXVBHSA-N
MW382.55 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70722760) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70722760
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C/C=C/c3ccccc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C24H34N2O2/c27-22-10-8-21(9-11-22)26-19-24(13-12-23(26)28)14-17-25(18-15-24)16-4-7-20-5-2-1-3-6-20/h1-7,21-22,27H,8-19H2/b7-4+
InChIKeyAVIIKHRIUKAKIO-QPJJXVBHSA-N
XLogP3.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-allyl-9-[(2S)-2-hydroxy-3-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894765
9-(4-Fluorobenzyl)-2-(trans-4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70738842
2-(trans-4-Hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921698
9-[(2E)-3-(4-Fluorophenyl)prop-2-EN-1-YL]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706443
9-(4-Fluoro-2-methylbenzyl)-2-(trans-4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70777530
9-(3-Fluoro-4-methylbenzoyl)-2-(trans-4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926649
9-[3-(4-Fluorophenyl)prop-2-enyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77897312
rel-(5R,6R)-2-cyclohexyl-8-[(4-fluorophenyl)acetyl]-2,8-diazaspiro[5.5]undecan-5-ol formate
CID 145937474
9-[3-(4-fluorophenyl)propanoyl]-2-(tetrahydro-2H-pyran-4-yl)-2,9-diazaspiro[5.5]undecan-4-ol
CID 171907054
N-(4-hydroxycyclohexyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28100829
(3R*,4R*)-1-(cyclohexylcarbonyl)-4-[4-(2-phenylethyl)-1-piperazinyl]-3-piperidinol
CID 45234048
1-(1'-Acetyl-1,4'-bipiperidin-4-yl)-3-phenylpropan-1-ol
CID 50977975

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70722760) is 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C/C=C/c3ccccc3)CC2)CN1C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AVIIKHRIUKAKIO-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H34N2O2/c27-22-10-8-21(9-11-22)26-19-24(13-12-23(26)28)14-17-25(18-15-24)16-4-7-20-5-2-1-3-6-20/h1-7,21-22,27H,8-19H2/b7-4+.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70722760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).