2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one

C24H29N5O2 — CID 175645650

IUPAC2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cncc(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)n1)N1CCCC1
InChIInChI=1S/C24H29N5O2/c30-22(27-11-4-5-12-27)20-16-25-17-21(26-20)29-15-10-24(18-29)9-14-28(23(24)31)13-8-19-6-2-1-3-7-19/h1-3,6-7,16-17H,4-5,8-15,18H2
InChIKeyODHPKUUSYJSOOK-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.38
Rot. Bonds5

About 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175645650) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175645650
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cncc(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)n1)N1CCCC1
InChIInChI=1S/C24H29N5O2/c30-22(27-11-4-5-12-27)20-16-25-17-21(26-20)29-15-10-24(18-29)9-14-28(23(24)31)13-8-19-6-2-1-3-7-19/h1-3,6-7,16-17H,4-5,8-15,18H2
InChIKeyODHPKUUSYJSOOK-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide
CID 175643931
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116874
1'-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 135116488
2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 176502258
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
(5S)-2-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97152335
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
6-[(5R)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide
CID 126442461

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175645650) is 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1cncc(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)n1)N1CCCC1.
What is the InChIKey of 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ODHPKUUSYJSOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-22(27-11-4-5-12-27)20-16-25-17-21(26-20)29-15-10-24(18-29)9-14-28(23(24)31)13-8-19-6-2-1-3-7-19/h1-3,6-7,16-17H,4-5,8-15,18H2.
What are the key properties of 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 419.53 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175645650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).