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

C21H35N3O2 — CID 16886772

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H35N3O2/c25-20(22-13-10-17-6-2-1-3-7-17)21(26)23-16-18-11-14-24(15-12-18)19-8-4-5-9-19/h6,18-19H,1-5,7-16H2,(H,22,25)(H,23,26)
InChIKeyNFXLSQNKCYPOCL-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.76
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886772) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide
PubChem CID16886772
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H35N3O2/c25-20(22-13-10-17-6-2-1-3-7-17)21(26)23-16-18-11-14-24(15-12-18)19-8-4-5-9-19/h6,18-19H,1-5,7-16H2,(H,22,25)(H,23,26)
InChIKeyNFXLSQNKCYPOCL-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.76
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-cyclopentylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide (CID 16886772) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
The InChIKey is NFXLSQNKCYPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c25-20(22-13-10-17-6-2-1-3-7-17)21(26)23-16-18-11-14-24(15-12-18)19-8-4-5-9-19/h6,18-19H,1-5,7-16H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide has a molecular weight of 361.53 g/mol, XLogP of 2.76, 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-cyclopentylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).