phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

C20H23N3O2 — CID 3235523

IUPACphenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CC1)CN(Cc1ccncc1)C2
InChIInChI=1S/C20H23N3O2/c24-19(25-18-4-2-1-3-5-18)23-12-8-20(9-13-23)15-22(16-20)14-17-6-10-21-11-7-17/h1-7,10-11H,8-9,12-16H2
InChIKeyHNMYXQBCALLPKX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.18
Rot. Bonds3

About phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 3235523) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namephenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID3235523
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namephenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CC1)CN(Cc1ccncc1)C2
InChIInChI=1S/C20H23N3O2/c24-19(25-18-4-2-1-3-5-18)23-12-8-20(9-13-23)15-22(16-20)14-17-6-10-21-11-7-17/h1-7,10-11H,8-9,12-16H2
InChIKeyHNMYXQBCALLPKX-UHFFFAOYSA-N
XLogP3.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472798
[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 135320760
phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233977
[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-pyridin-3-ylmethanone
CID 97472755
phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3234315
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 166650238
phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234058

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 3235523) is phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is O=C(Oc1ccccc1)N1CCC2(CC1)CN(Cc1ccncc1)C2.
What is the InChIKey of phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is HNMYXQBCALLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(25-18-4-2-1-3-5-18)23-12-8-20(9-13-23)15-22(16-20)14-17-6-10-21-11-7-17/h1-7,10-11H,8-9,12-16H2.
What are the key properties of phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 3235523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).