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

C14H27N3O2 — CID 16886629

IUPACN'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-10(2)16-14(19)13(18)15-9-12-5-7-17(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyMKNKXARWLKLSKH-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.75
Rot. Bonds4

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

N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886629) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886629
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-10(2)16-14(19)13(18)15-9-12-5-7-17(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyMKNKXARWLKLSKH-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886629) is N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)NC(=O)C(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is MKNKXARWLKLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)16-14(19)13(18)15-9-12-5-7-17(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 269.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).