(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

C16H22N4O2 — CID 97375565

IUPAC(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(C(=O)c2cnccn2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C16H22N4O2/c1-3-13-16(7-5-14(21)19(16)2)6-4-10-20(13)15(22)12-11-17-8-9-18-12/h8-9,11,13H,3-7,10H2,1-2H3/t13-,16-/m0/s1
InChIKeyPYWMLYVFRUCUKK-BBRMVZONSA-N
MW302.38 g/mol
LogP1.48
Rot. Bonds2

About (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375565) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375565
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(C(=O)c2cnccn2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C16H22N4O2/c1-3-13-16(7-5-14(21)19(16)2)6-4-10-20(13)15(22)12-11-17-8-9-18-12/h8-9,11,13H,3-7,10H2,1-2H3/t13-,16-/m0/s1
InChIKeyPYWMLYVFRUCUKK-BBRMVZONSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,10S)-10-ethyl-1-methyl-9-(pyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155837081
(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375561
(5S,10R)-10-ethyl-1-methyl-9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,9-diazaspiro[4.5]decan-2-one
CID 131684137
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(pyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829364
(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470051
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375583
(1S,7S)-1-methyl-8-(pyrazine-2-carbonyl)-2,8-diazabicyclo[5.5.0]dodecan-3-one
CID 110126154
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375565) is (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(C(=O)c2cnccn2)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PYWMLYVFRUCUKK-BBRMVZONSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-13-16(7-5-14(21)19(16)2)6-4-10-20(13)15(22)12-11-17-8-9-18-12/h8-9,11,13H,3-7,10H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).