N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide

C17H31N3O2 — CID 16886800

IUPACN'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)19-16(22)15(21)18-12-13-8-10-20(11-9-13)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyOQXUCZXONRETIJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.67
Rot. Bonds3

About N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide

N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886800) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide
PubChem CID16886800
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)19-16(22)15(21)18-12-13-8-10-20(11-9-13)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyOQXUCZXONRETIJ-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide (CID 16886800) is N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide is CC(C)(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
The InChIKey is OQXUCZXONRETIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)19-16(22)15(21)18-12-13-8-10-20(11-9-13)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide?
N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide has a molecular weight of 309.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).