7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one

C21H25N3O — CID 97472972

IUPAC7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCCc1ccc(CN2CCC3(CC2)CN(c2cccnc2)C3=O)cc1
InChIInChI=1S/C21H25N3O/c1-2-17-5-7-18(8-6-17)15-23-12-9-21(10-13-23)16-24(20(21)25)19-4-3-11-22-14-19/h3-8,11,14H,2,9-10,12-13,15-16H2,1H3
InChIKeyVYEJBOXMHRSDPA-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.27
Rot. Bonds4

About 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one

7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472972) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472972
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCCc1ccc(CN2CCC3(CC2)CN(c2cccnc2)C3=O)cc1
InChIInChI=1S/C21H25N3O/c1-2-17-5-7-18(8-6-17)15-23-12-9-21(10-13-23)16-24(20(21)25)19-4-3-11-22-14-19/h3-8,11,14H,2,9-10,12-13,15-16H2,1H3
InChIKeyVYEJBOXMHRSDPA-UHFFFAOYSA-N
XLogP3.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3-fluorophenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472971
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472963
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
8-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449888
(5S,9S)-7-[(3,4-difluorophenyl)methyl]-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 155873808
7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131694882
7-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155839899
6-acetyl-2-benzyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073016
2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97473007
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one (CID 97472972) is 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one is CCc1ccc(CN2CCC3(CC2)CN(c2cccnc2)C3=O)cc1.
What is the InChIKey of 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is VYEJBOXMHRSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-17-5-7-18(8-6-17)15-23-12-9-21(10-13-23)16-24(20(21)25)19-4-3-11-22-14-19/h3-8,11,14H,2,9-10,12-13,15-16H2,1H3.
What are the key properties of 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 335.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).