N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide

C14H27N3O2 — CID 16886580

IUPACN'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-7-15-13(18)14(19)16-10-12-5-8-17(9-6-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWMIGBNZRMVOEKW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.75
Rot. Bonds5

About N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide

N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide (PubChem CID 16886580) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide
PubChem CID16886580
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-7-15-13(18)14(19)16-10-12-5-8-17(9-6-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWMIGBNZRMVOEKW-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.75
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'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide?
The IUPAC name of N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide (CID 16886580) is N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide.
What is the SMILES notation for N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide?
The canonical SMILES for N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide is CCCNC(=O)C(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide?
The InChIKey is WMIGBNZRMVOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-7-15-13(18)14(19)16-10-12-5-8-17(9-6-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide?
N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide has a molecular weight of 269.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-propan-2-ylpiperidin-4-yl)methyl]-N-propyloxamide is sourced from PubChem (CID 16886580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).