1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone

C14H18N4O2 — CID 97412790

IUPAC1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
SMILESCC(=O)N1CCC12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C14H18N4O2/c1-11(19)18-9-4-14(18)2-7-17(8-3-14)13(20)12-10-15-5-6-16-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyPDCCIDWVQZRFEB-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.70
Rot. Bonds1

About 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone

1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone (PubChem CID 97412790) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
PubChem CID97412790
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
SMILESCC(=O)N1CCC12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C14H18N4O2/c1-11(19)18-9-4-14(18)2-7-17(8-3-14)13(20)12-10-15-5-6-16-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyPDCCIDWVQZRFEB-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
N'-hydroxy-4-methylsulfanyl-1-(pyrazine-2-carbonyl)piperidine-4-carboximidamide
CID 77108813
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470051
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
N,N-dimethyl-2-[1-oxo-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370251

Frequently Asked Questions

What is the IUPAC name of 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
The IUPAC name of 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone (CID 97412790) is 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone.
What is the SMILES notation for 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
The canonical SMILES for 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone is CC(=O)N1CCC12CCN(C(=O)c1cnccn1)CC2.
What is the InChIKey of 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
The InChIKey is PDCCIDWVQZRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(19)18-9-4-14(18)2-7-17(8-3-14)13(20)12-10-15-5-6-16-12/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone is sourced from PubChem (CID 97412790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).