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

C19H33N3O2 — CID 16886602

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C19H33N3O2/c1-15(2)22-12-9-17(10-13-22)14-21-19(24)18(23)20-11-8-16-6-4-3-5-7-16/h6,15,17H,3-5,7-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLRXAURCMPRHMLA-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.23
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886602) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886602
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C19H33N3O2/c1-15(2)22-12-9-17(10-13-22)14-21-19(24)18(23)20-11-8-16-6-4-3-5-7-16/h6,15,17H,3-5,7-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLRXAURCMPRHMLA-UHFFFAOYSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886602) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)N1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is LRXAURCMPRHMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(2)22-12-9-17(10-13-22)14-21-19(24)18(23)20-11-8-16-6-4-3-5-7-16/h6,15,17H,3-5,7-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 335.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).