[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C26H39N3O2 — CID 59818828

IUPAC[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)CC(C)O1
InChIInChI=1S/C26H39N3O2/c1-20-18-29(19-21(2)31-20)25(30)22-6-8-24(9-7-22)28-16-12-26(13-17-28)10-14-27(15-11-26)23-4-3-5-23/h6-9,20-21,23H,3-5,10-19H2,1-2H3
InChIKeyPRMKZSKNWDPKND-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.17
Rot. Bonds3

About [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 59818828) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID59818828
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)CC(C)O1
InChIInChI=1S/C26H39N3O2/c1-20-18-29(19-21(2)31-20)25(30)22-6-8-24(9-7-22)28-16-12-26(13-17-28)10-14-27(15-11-26)23-4-3-5-23/h6-9,20-21,23H,3-5,10-19H2,1-2H3
InChIKeyPRMKZSKNWDPKND-UHFFFAOYSA-N
XLogP4.17
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 34280429
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
CID 69354891
9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
CID 59818719
5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one
CID 59818676
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338

Frequently Asked Questions

What is the IUPAC name of [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 59818828) is [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)CC(C)O1.
What is the InChIKey of [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is PRMKZSKNWDPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-20-18-29(19-21(2)31-20)25(30)22-6-8-24(9-7-22)28-16-12-26(13-17-28)10-14-27(15-11-26)23-4-3-5-23/h6-9,20-21,23H,3-5,10-19H2,1-2H3.
What are the key properties of [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 425.62 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 59818828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).