N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H26N4O — CID 23609086

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H26N4O/c23-18(21-9-6-15-4-2-1-3-5-15)16-7-12-22(13-8-16)17-14-19-10-11-20-17/h4,10-11,14,16H,1-3,5-9,12-13H2,(H,21,23)
InChIKeyPMIUAAKXHCOHCH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 23609086) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID23609086
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H26N4O/c23-18(21-9-6-15-4-2-1-3-5-15)16-7-12-22(13-8-16)17-14-19-10-11-20-17/h4,10-11,14,16H,1-3,5-9,12-13H2,(H,21,23)
InChIKeyPMIUAAKXHCOHCH-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 23609086) is N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is PMIUAAKXHCOHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-18(21-9-6-15-4-2-1-3-5-15)16-7-12-22(13-8-16)17-14-19-10-11-20-17/h4,10-11,14,16H,1-3,5-9,12-13H2,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 23609086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).