(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one

C20H30N2O — CID 68855653

IUPAC(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one
SMILESCCCC[C@H]1C(=O)NCCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H30N2O/c1-2-3-9-18-19(23)21-13-10-20(18)11-14-22(15-12-20)16-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyHXQNZXIKTAGJJR-SFHVURJKSA-N
MW314.47 g/mol
LogP3.60
Rot. Bonds5

About (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one

(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one (PubChem CID 68855653) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one
PubChem CID68855653
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one
SMILESCCCC[C@H]1C(=O)NCCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H30N2O/c1-2-3-9-18-19(23)21-13-10-20(18)11-14-22(15-12-20)16-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyHXQNZXIKTAGJJR-SFHVURJKSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
(1S,14S)-6,9-dibenzyl-16,16-dimethyl-15,17-dioxa-3,6,9,12-tetrazabicyclo[12.3.0]heptadecane-2,13-dione
CID 11518621
1-benzyl-3-butylpiperazine
CID 19353079
8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 130677273
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 160986677
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 68926998
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-4-butylpiperazine;ethane
CID 90954358

Frequently Asked Questions

What is the IUPAC name of (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one?
The IUPAC name of (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one (CID 68855653) is (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one.
What is the SMILES notation for (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one?
The canonical SMILES for (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one is CCCC[C@H]1C(=O)NCCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one?
The InChIKey is HXQNZXIKTAGJJR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-3-9-18-19(23)21-13-10-20(18)11-14-22(15-12-20)16-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one?
(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one has a molecular weight of 314.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one is sourced from PubChem (CID 68855653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).