[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H26N4O — CID 18149172

IUPAC[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)=CC1C(C(=O)N2CCN(c3cnccn3)CC2)C1(C)C
InChIInChI=1S/C18H26N4O/c1-13(2)11-14-16(18(14,3)4)17(23)22-9-7-21(8-10-22)15-12-19-5-6-20-15/h5-6,11-12,14,16H,7-10H2,1-4H3
InChIKeyVOBNKOBYHHHUFL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.36
Rot. Bonds3

About [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 18149172) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID18149172
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)=CC1C(C(=O)N2CCN(c3cnccn3)CC2)C1(C)C
InChIInChI=1S/C18H26N4O/c1-13(2)11-14-16(18(14,3)4)17(23)22-9-7-21(8-10-22)15-12-19-5-6-20-15/h5-6,11-12,14,16H,7-10H2,1-4H3
InChIKeyVOBNKOBYHHHUFL-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029875
2-(3-Methyl-2-buten-1-yl)-8-(2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72934265
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one
CID 97116844
Cyclopent-3-en-1-yl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 134077540
N-[2-(1-cyclohexenyl)ethyl]-1-(2-pyrazinyl)-4-piperidinecarboxamide
CID 23609086
N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen
CID 142167467
(1R)-N-[2-(pyrazin-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 40053884
(1S)-N-[2-(pyrazin-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 40053885
2-[(1S)-cyclopent-2-en-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 40137962
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 40137963
[(1R)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022787
[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022790

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 18149172) is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CC(C)=CC1C(C(=O)N2CCN(c3cnccn3)CC2)C1(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VOBNKOBYHHHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)11-14-16(18(14,3)4)17(23)22-9-7-21(8-10-22)15-12-19-5-6-20-15/h5-6,11-12,14,16H,7-10H2,1-4H3.
What are the key properties of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 18149172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).