(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

C17H24N4O3 — CID 97484871

IUPAC(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CC[C@]12CCCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C17H24N4O3/c1-24-12-11-21-15(22)3-5-17(21)4-2-9-20(10-6-17)16(23)14-13-18-7-8-19-14/h7-8,13H,2-6,9-12H2,1H3/t17-/m0/s1
InChIKeyDRRZCPRMCZDHHC-KRWDZBQOSA-N
MW332.40 g/mol
LogP1.11
Rot. Bonds4

About (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97484871) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97484871
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CC[C@]12CCCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C17H24N4O3/c1-24-12-11-21-15(22)3-5-17(21)4-2-9-20(10-6-17)16(23)14-13-18-7-8-19-14/h7-8,13H,2-6,9-12H2,1H3/t17-/m0/s1
InChIKeyDRRZCPRMCZDHHC-KRWDZBQOSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684521
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
3-methoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547814
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155835644
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 91918141
9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155841882

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97484871) is (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CC[C@]12CCCN(C(=O)c1cnccn1)CC2.
What is the InChIKey of (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DRRZCPRMCZDHHC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-12-11-21-15(22)3-5-17(21)4-2-9-20(10-6-17)16(23)14-13-18-7-8-19-14/h7-8,13H,2-6,9-12H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97484871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).