2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one

C16H22N4O2 — CID 72860043

IUPAC2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cc3cnccn3)CC2)CC1=O
InChIInChI=1S/C16H22N4O2/c1-2-19-12-16(10-15(19)22)3-7-20(8-4-16)14(21)9-13-11-17-5-6-18-13/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyDNIBAIDDXWVCFE-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.88
Rot. Bonds3

About 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72860043) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72860043
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cc3cnccn3)CC2)CC1=O
InChIInChI=1S/C16H22N4O2/c1-2-19-12-16(10-15(19)22)3-7-20(8-4-16)14(21)9-13-11-17-5-6-18-13/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyDNIBAIDDXWVCFE-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360222
8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 155873513
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542
8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72849932
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852577
2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70780066
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648352
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72860043) is 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)Cc3cnccn3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DNIBAIDDXWVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-19-12-16(10-15(19)22)3-7-20(8-4-16)14(21)9-13-11-17-5-6-18-13/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 302.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72860043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).