[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone

C23H34N2O2 — CID 98287421

IUPAC[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
SMILESO=C(C1CCC(O)CC1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C23H34N2O2/c26-21-10-8-20(9-11-21)22(27)25-15-5-13-23(18-25)12-4-14-24(17-23)16-19-6-2-1-3-7-19/h1-3,6-7,20-21,26H,4-5,8-18H2/t20?,21?,23-/m0/s1
InChIKeyQXUBLWBANTWMFN-BBHUYCHWSA-N
MW370.54 g/mol
LogP3.44
Rot. Bonds3

About [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone

[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone (PubChem CID 98287421) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
PubChem CID98287421
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
SMILESO=C(C1CCC(O)CC1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C23H34N2O2/c26-21-10-8-20(9-11-21)22(27)25-15-5-13-23(18-25)12-4-14-24(17-23)16-19-6-2-1-3-7-19/h1-3,6-7,20-21,26H,4-5,8-18H2/t20?,21?,23-/m0/s1
InChIKeyQXUBLWBANTWMFN-BBHUYCHWSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone with MolForge

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Related Compounds

(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methanone;dihydrochloride
CID 120800295
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196

Frequently Asked Questions

What is the IUPAC name of [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone?
The IUPAC name of [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone (CID 98287421) is [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone is O=C(C1CCC(O)CC1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone?
The InChIKey is QXUBLWBANTWMFN-BBHUYCHWSA-N. The full InChI is InChI=1S/C23H34N2O2/c26-21-10-8-20(9-11-21)22(27)25-15-5-13-23(18-25)12-4-14-24(17-23)16-19-6-2-1-3-7-19/h1-3,6-7,20-21,26H,4-5,8-18H2/t20?,21?,23-/m0/s1.
What are the key properties of [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone?
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone has a molecular weight of 370.54 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 98287421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).