2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O2 — CID 70778011

IUPAC2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(c3nccnc3C)C2)CCC1=O
InChIInChI=1S/C18H28N4O2/c1-15-17(20-9-8-19-15)22-10-3-6-18(14-22)7-5-16(23)21(13-18)11-4-12-24-2/h8-9H,3-7,10-14H2,1-2H3
InChIKeyHAKSSBYNJGGUKO-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.03
Rot. Bonds5

About 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70778011) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70778011
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(c3nccnc3C)C2)CCC1=O
InChIInChI=1S/C18H28N4O2/c1-15-17(20-9-8-19-15)22-10-3-6-18(14-22)7-5-16(23)21(13-18)11-4-12-24-2/h8-9H,3-7,10-14H2,1-2H3
InChIKeyHAKSSBYNJGGUKO-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,6-dimethylpyrazin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843219
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96382768
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
(4aR,8aS)-6-(3,6-dimethylpyrazin-2-yl)-1-(4-hydroxybutyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164629299
2-[3-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-3-methylpyrazine
CID 165434645
1-(Cyclohexylmethyl)-5-{[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 45176982
3-(4-{[1-(Methoxymethyl)cyclobutyl]carbonyl}piperazin-1-yl)-2,5-dimethylpyrazine
CID 50951522
N-(2-methoxyethyl)-1'-(3-methylpyrazin-2-yl)-1,4'-bipiperidine-3-carboxamide
CID 56860998
4-[1-(3,6-Dimethylpyrazin-2-yl)piperidine-4-carbonyl]morpholine
CID 11551245

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70778011) is 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCCN(c3nccnc3C)C2)CCC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HAKSSBYNJGGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-17(20-9-8-19-15)22-10-3-6-18(14-22)7-5-16(23)21(13-18)11-4-12-24-2/h8-9H,3-7,10-14H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70778011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).