phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C21H25N3O2 — CID 3233977

IUPACphenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(26-18-7-2-1-3-8-18)23-15-11-21(12-16-23)10-6-14-24(17-21)19-9-4-5-13-22-19/h1-5,7-9,13H,6,10-12,14-17H2
InChIKeyALVMYTXDIDVNBL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.96
Rot. Bonds2

About phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3233977) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3233977
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Namephenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(26-18-7-2-1-3-8-18)23-15-11-21(12-16-23)10-6-14-24(17-21)19-9-4-5-13-22-19/h1-5,7-9,13H,6,10-12,14-17H2
InChIKeyALVMYTXDIDVNBL-UHFFFAOYSA-N
XLogP3.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234058
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
(5R)-N,N-dimethyl-9-pyridin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483862
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233137
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
(5R)-2-[(3S)-oxolan-3-yl]-7-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 98777895
phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3235523
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054

Frequently Asked Questions

What is the IUPAC name of phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3233977) is phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate is O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1.
What is the InChIKey of phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is ALVMYTXDIDVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(26-18-7-2-1-3-8-18)23-15-11-21(12-16-23)10-6-14-24(17-21)19-9-4-5-13-22-19/h1-5,7-9,13H,6,10-12,14-17H2.
What are the key properties of phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3233977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).