N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H26N4O — CID 23607878

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H26N4O/c23-18(21-9-8-15-5-2-1-3-6-15)16-7-4-12-22(14-16)17-13-19-10-11-20-17/h5,10-11,13,16H,1-4,6-9,12,14H2,(H,21,23)
InChIKeyOSTQIGHROBPPPA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607878) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607878
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H26N4O/c23-18(21-9-8-15-5-2-1-3-6-15)16-7-4-12-22(14-16)17-13-19-10-11-20-17/h5,10-11,13,16H,1-4,6-9,12,14H2,(H,21,23)
InChIKeyOSTQIGHROBPPPA-UHFFFAOYSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.70
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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 53508475
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 72053307
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
N-(Cyclohexylmethyl)-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222642
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)oxalamide
CID 71786341
2-cyclopent-2-en-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 45877459
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one
CID 97116844
(4aS*,8aR*)-1-(2-cyclohex-1-en-1-ylethyl)-6-pyrazin-2-yloctahydro-1,6-naphthyridin-2(1H)-one
CID 133122606
4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 154796681
N-cycloheptyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607858
N-(cyclohexylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607863
N-[2-(1-cyclohexenyl)ethyl]-1-(2-pyrazinyl)-4-piperidinecarboxamide
CID 23609086

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607878) is N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is OSTQIGHROBPPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-18(21-9-8-15-5-2-1-3-6-15)16-7-4-12-22(14-16)17-13-19-10-11-20-17/h5,10-11,13,16H,1-4,6-9,12,14H2,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).