N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide

C13H18N4O — CID 3222619

IUPACN-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N4O/c1-2-5-16-13(18)11-3-8-17(9-4-11)12-10-14-6-7-15-12/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)
InChIKeyQZIMRGLTESSXRH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.00
Rot. Bonds4

About N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide

N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222619) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222619
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N4O/c1-2-5-16-13(18)11-3-8-17(9-4-11)12-10-14-6-7-15-12/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)
InChIKeyQZIMRGLTESSXRH-UHFFFAOYSA-N
XLogP1.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222601
N-cyclohexyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 655805
N-(4-methylcyclohexyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
CID 656353
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 45832953
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 53508475
N1-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71786355
1-methyl-2-oxo-N-{[1-(pyrazin-2-yl)piperidin-4-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 71786555
N-(pyrazin-2-yl)piperidine-4-carboxamide dihydrochloride
CID 165669402
N-(Cyclohexylmethyl)-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222642
N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
CID 3231148
N-Cyclopropyl-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 23609082

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222619) is N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is QZIMRGLTESSXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-5-16-13(18)11-3-8-17(9-4-11)12-10-14-6-7-15-12/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18).
What are the key properties of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).