8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C21H31ClN2O3 — CID 19814314

IUPAC8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC1(O)N(C2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2.Cl
InChIInChI=1S/C21H30N2O3.ClH/c1-20(25)21(26-19(24)23(20)18-10-6-3-7-11-18)12-14-22(15-13-21)16-17-8-4-2-5-9-17;/h2,4-5,8-9,18,25H,3,6-7,10-16H2,1H3;1H
InChIKeyBHWBUOMAMWYQFG-UHFFFAOYSA-N
MW394.94 g/mol
LogP3.94
Rot. Bonds3

About 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 19814314) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID19814314
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC Name8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC1(O)N(C2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2.Cl
InChIInChI=1S/C21H30N2O3.ClH/c1-20(25)21(26-19(24)23(20)18-10-6-3-7-11-18)12-14-22(15-13-21)16-17-8-4-2-5-9-17;/h2,4-5,8-9,18,25H,3,6-7,10-16H2,1H3;1H
InChIKeyBHWBUOMAMWYQFG-UHFFFAOYSA-N
XLogP3.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride with MolForge

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Related Compounds

8-benzyl-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 67901829
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19887476
9-benzyl-1-butyl-3-cyclohexyl-1,3,9-triazaspiro[5.5]undecan-2-one
CID 23109367
3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 19814368
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 69054457
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 19814314) is 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CC1(O)N(C2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2.Cl.
What is the InChIKey of 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is BHWBUOMAMWYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3.ClH/c1-20(25)21(26-19(24)23(20)18-10-6-3-7-11-18)12-14-22(15-13-21)16-17-8-4-2-5-9-17;/h2,4-5,8-9,18,25H,3,6-7,10-16H2,1H3;1H.
What are the key properties of 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 394.94 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 19814314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).