N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide

C20H30N4O — CID 56788151

IUPACN-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESC=CCN(CC1CCCCC1)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H30N4O/c1-2-12-24(16-17-6-4-3-5-7-17)20(25)18-8-13-23(14-9-18)19-15-21-10-11-22-19/h2,10-11,15,17-18H,1,3-9,12-14,16H2
InChIKeyYJQCDKJJCYOXDR-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.29
Rot. Bonds6

About N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 56788151) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID56788151
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESC=CCN(CC1CCCCC1)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H30N4O/c1-2-12-24(16-17-6-4-3-5-7-17)20(25)18-8-13-23(14-9-18)19-15-21-10-11-22-19/h2,10-11,15,17-18H,1,3-9,12-14,16H2
InChIKeyYJQCDKJJCYOXDR-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.29
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

N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
(2-methylpiperidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 171473302
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701658
N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 146123959
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 86925418
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
[2-(4-chlorophenyl)azepan-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 126769241
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 56788151) is N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide is C=CCN(CC1CCCCC1)C(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is YJQCDKJJCYOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-12-24(16-17-6-4-3-5-7-17)20(25)18-8-13-23(14-9-18)19-15-21-10-11-22-19/h2,10-11,15,17-18H,1,3-9,12-14,16H2.
What are the key properties of N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-prop-2-enyl-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 56788151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).