N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

C20H29N5O2 — CID 71786341

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H29N5O2/c26-19(23-9-6-16-4-2-1-3-5-16)20(27)24-14-17-7-12-25(13-8-17)18-15-21-10-11-22-18/h4,10-11,15,17H,1-3,5-9,12-14H2,(H,23,26)(H,24,27)
InChIKeyNUXJFKKWVLTZQC-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 71786341) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID71786341
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H29N5O2/c26-19(23-9-6-16-4-2-1-3-5-16)20(27)24-14-17-7-12-25(13-8-17)18-15-21-10-11-22-18/h4,10-11,15,17H,1-3,5-9,12-14H2,(H,23,26)(H,24,27)
InChIKeyNUXJFKKWVLTZQC-UHFFFAOYSA-N
XLogP1.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (CID 71786341) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is NUXJFKKWVLTZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19(23-9-6-16-4-2-1-3-5-16)20(27)24-14-17-7-12-25(13-8-17)18-15-21-10-11-22-18/h4,10-11,15,17H,1-3,5-9,12-14H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 371.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 71786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).