[2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

C22H28N4O2 — CID 3235067

IUPAC[2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESCOc1ccccc1CN1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C22H28N4O2/c1-28-20-6-3-2-5-18(20)16-25-12-4-7-22(17-25)8-13-26(14-9-22)21(27)19-15-23-10-11-24-19/h2-3,5-6,10-11,15H,4,7-9,12-14,16-17H2,1H3
InChIKeyNBJHTHUPLJOXMP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.00
Rot. Bonds4

About [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

[2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (PubChem CID 3235067) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
PubChem CID3235067
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESCOc1ccccc1CN1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C22H28N4O2/c1-28-20-6-3-2-5-18(20)16-25-12-4-7-22(17-25)8-13-26(14-9-22)21(27)19-15-23-10-11-24-19/h2-3,5-6,10-11,15H,4,7-9,12-14,16-17H2,1H3
InChIKeyNBJHTHUPLJOXMP-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
CID 68187495
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 16552535
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)pyrazine-2-carboxamide
CID 54582823
N-[2-(2-methoxyphenyl)ethyl]-2-pyrazinecarboxamide
CID 1246077
N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 2531496
[9-[(2-Methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233696
2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 16190777
N-(6-methoxy-3-pyridinyl)-N-methyl-5-(2-methylphenyl)pyrazine-2-carboxamide
CID 46884414
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)pyrazine-2-carboxamide
CID 46884437
N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 46884438
Pyrazine-2-carboxylic acid [3-(2-methoxy-benzoylamino)-propyl]-amide
CID 6498590

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (CID 3235067) is [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is COc1ccccc1CN1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The InChIKey is NBJHTHUPLJOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-20-6-3-2-5-18(20)16-25-12-4-7-22(17-25)8-13-26(14-9-22)21(27)19-15-23-10-11-24-19/h2-3,5-6,10-11,15H,4,7-9,12-14,16-17H2,1H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
[2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone has a molecular weight of 380.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 3235067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).