(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H22N4O2 — CID 97451541

IUPAC(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@]3(CCN(C(=O)c4cnccn4)C3)C2=O)c1
InChIInChI=1S/C20H22N4O2/c1-15-3-2-4-16(11-15)13-23-9-5-20(19(23)26)6-10-24(14-20)18(25)17-12-21-7-8-22-17/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3/t20-/m1/s1
InChIKeyVMDLUPKJMYTHNL-HXUWFJFHSA-N
MW350.42 g/mol
LogP2.05
Rot. Bonds3

About (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97451541) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97451541
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@]3(CCN(C(=O)c4cnccn4)C3)C2=O)c1
InChIInChI=1S/C20H22N4O2/c1-15-3-2-4-16(11-15)13-23-9-5-20(19(23)26)6-10-24(14-20)18(25)17-12-21-7-8-22-17/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3/t20-/m1/s1
InChIKeyVMDLUPKJMYTHNL-HXUWFJFHSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373855
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373948
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451552
(5S)-2-[(3-methylphenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373854
(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373850
(5S)-7-[(3-methylphenyl)methyl]-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42474387
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373943
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373946

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97451541) is (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@]3(CCN(C(=O)c4cnccn4)C3)C2=O)c1.
What is the InChIKey of (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is VMDLUPKJMYTHNL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-3-2-4-16(11-15)13-23-9-5-20(19(23)26)6-10-24(14-20)18(25)17-12-21-7-8-22-17/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(3-methylphenyl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97451541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).