N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide

C12H23N3O2 — CID 16886544

IUPACN-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)14-12(17)11(16)13-8-10-4-6-15(3)7-5-10/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyZBEFFSPRTMHCCH-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.03
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide

N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide (PubChem CID 16886544) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
PubChem CID16886544
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)14-12(17)11(16)13-8-10-4-6-15(3)7-5-10/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyZBEFFSPRTMHCCH-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.03
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-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide (CID 16886544) is N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCC1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
The InChIKey is ZBEFFSPRTMHCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)14-12(17)11(16)13-8-10-4-6-15(3)7-5-10/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide has a molecular weight of 241.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 16886544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).