N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide

C13H18N4O — CID 23607875

IUPACN-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H18N4O/c1-2-5-16-13(18)11-4-3-8-17(10-11)12-9-14-6-7-15-12/h2,6-7,9,11H,1,3-5,8,10H2,(H,16,18)
InChIKeyBKHNTFVODPPGED-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.00
Rot. Bonds4

About N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide

N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607875) 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-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607875
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H18N4O/c1-2-5-16-13(18)11-4-3-8-17(10-11)12-9-14-6-7-15-12/h2,6-7,9,11H,1,3-5,8,10H2,(H,16,18)
InChIKeyBKHNTFVODPPGED-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

(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 37392327

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607875) is N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is BKHNTFVODPPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-5-16-13(18)11-4-3-8-17(10-11)12-9-14-6-7-15-12/h2,6-7,9,11H,1,3-5,8,10H2,(H,16,18).
What are the key properties of N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 23607875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).