2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C18H27N5O — CID 86282995

IUPAC2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC(N2CC3(CCC2=O)CCN(c2cnccn2)CC3)C1
InChIInChI=1S/C18H27N5O/c1-21-9-3-15(13-21)23-14-18(4-2-17(23)24)5-10-22(11-6-18)16-12-19-7-8-20-16/h7-8,12,15H,2-6,9-11,13-14H2,1H3
InChIKeyCSRITQQTCKCRFN-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.39
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 86282995) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID86282995
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC(N2CC3(CCC2=O)CCN(c2cnccn2)CC3)C1
InChIInChI=1S/C18H27N5O/c1-21-9-3-15(13-21)23-14-18(4-2-17(23)24)5-10-22(11-6-18)16-12-19-7-8-20-16/h7-8,12,15H,2-6,9-11,13-14H2,1H3
InChIKeyCSRITQQTCKCRFN-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97128159
9-(3,6-dimethylpyrazin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72897842
9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857885
9-(1H-imidazol-5-ylmethyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97281170
2-(1-methylpyrrolidin-3-yl)-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936878
9-(5-methyl-1H-pyrazole-3-carbonyl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113035
2-[(3S)-1-methylpyrrolidin-3-yl]-9-(5-methylthiophene-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97117386
2-(1-methylpyrrolidin-3-yl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72880029
9-[(4-methoxyphenyl)methyl]-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137091
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrazine
CID 133315581
9-(2H-benzotriazole-5-carbonyl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72903419
2-[(3R)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97155669

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 86282995) is 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is CN1CCC(N2CC3(CCC2=O)CCN(c2cnccn2)CC3)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CSRITQQTCKCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21-9-3-15(13-21)23-14-18(4-2-17(23)24)5-10-22(11-6-18)16-12-19-7-8-20-16/h7-8,12,15H,2-6,9-11,13-14H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 329.45 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 86282995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).