N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide

C17H23N5O — CID 75423018

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2nccn3ccnc23)CC1
InChIInChI=1S/C17H23N5O/c1-13(2)3-8-21-9-4-14(5-10-21)20-17(23)15-16-19-7-12-22(16)11-6-18-15/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3,(H,20,23)
InChIKeyNDWXUJXQGOPXEJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.89
Rot. Bonds4

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 75423018) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID75423018
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2nccn3ccnc23)CC1
InChIInChI=1S/C17H23N5O/c1-13(2)3-8-21-9-4-14(5-10-21)20-17(23)15-16-19-7-12-22(16)11-6-18-15/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3,(H,20,23)
InChIKeyNDWXUJXQGOPXEJ-UHFFFAOYSA-N
XLogP1.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-ethylpiperidin-4-yl)pyrazine-2-carboxamide
CID 30768284
2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
CID 56569700
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 56568880
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 56568813
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56569542
2-cyclopentyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 122157562
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
CID 56569173
5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
CID 56569475
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide (CID 75423018) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide is CC(C)=CCN1CCC(NC(=O)c2nccn3ccnc23)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is NDWXUJXQGOPXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(2)3-8-21-9-4-14(5-10-21)20-17(23)15-16-19-7-12-22(16)11-6-18-15/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 75423018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).