(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O — CID 96579994

IUPAC(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(C)c(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1
InChIInChI=1S/C18H28N4O/c1-13(2)22-12-18(8-6-16(22)23)7-5-9-21(11-18)17-15(4)19-10-14(3)20-17/h10,13H,5-9,11-12H2,1-4H3/t18-/m0/s1
InChIKeyXDMSAJCFBUVDDB-SFHVURJKSA-N
MW316.45 g/mol
LogP2.71
Rot. Bonds2

About (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96579994) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96579994
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(C)c(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1
InChIInChI=1S/C18H28N4O/c1-13(2)22-12-18(8-6-16(22)23)7-5-9-21(11-18)17-15(4)19-10-14(3)20-17/h10,13H,5-9,11-12H2,1-4H3/t18-/m0/s1
InChIKeyXDMSAJCFBUVDDB-SFHVURJKSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(rel-(1R,3S)-3-{[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]carbonyl}cyclopentyl)amine dihydrochloride
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(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96382768
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CID 97120243
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CID 97136804
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
(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

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 96579994) is (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(C)c(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1.
What is the InChIKey of (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is XDMSAJCFBUVDDB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(2)22-12-18(8-6-16(22)23)7-5-9-21(11-18)17-15(4)19-10-14(3)20-17/h10,13H,5-9,11-12H2,1-4H3/t18-/m0/s1.
What are the key properties of (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.45 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96579994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).