(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O — CID 97120243

IUPAC(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nccnc1N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H26N4O/c1-14-16(20-9-8-19-14)22-11-7-18(13-22)6-3-10-21(17(18)23)12-15-4-2-5-15/h8-9,15H,2-7,10-13H2,1H3/t18-/m0/s1
InChIKeyZSHPPLYBUSATOT-SFHVURJKSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97120243) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97120243
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nccnc1N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H26N4O/c1-14-16(20-9-8-19-14)22-11-7-18(13-22)6-3-10-21(17(18)23)12-15-4-2-5-15/h8-9,15H,2-7,10-13H2,1H3/t18-/m0/s1
InChIKeyZSHPPLYBUSATOT-SFHVURJKSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
(rel-(1R,3S)-3-{[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]carbonyl}cyclopentyl)amine dihydrochloride
CID 56897802
1-[4-(2,5-Dimethylimidazol-1-yl)piperidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 124047362
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71995949
1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 91648244
(3R)-1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96460751
(3S)-1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96460753

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97120243) is (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nccnc1N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZSHPPLYBUSATOT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-16(20-9-8-19-14)22-11-7-18(13-22)6-3-10-21(17(18)23)12-15-4-2-5-15/h8-9,15H,2-7,10-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 314.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97120243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).