2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

C13H26N4O2 — CID 103442104

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC1CCN(CC(=O)NC(=O)NC(C)C)C(CN)C1
InChIInChI=1S/C13H26N4O2/c1-9(2)15-13(19)16-12(18)8-17-5-4-10(3)6-11(17)7-14/h9-11H,4-8,14H2,1-3H3,(H2,15,16,18,19)
InChIKeyHBHWNZIZPBXTRV-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.28
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 103442104) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID103442104
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC1CCN(CC(=O)NC(=O)NC(C)C)C(CN)C1
InChIInChI=1S/C13H26N4O2/c1-9(2)15-13(19)16-12(18)8-17-5-4-10(3)6-11(17)7-14/h9-11H,4-8,14H2,1-3H3,(H2,15,16,18,19)
InChIKeyHBHWNZIZPBXTRV-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 103442104) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is CC1CCN(CC(=O)NC(=O)NC(C)C)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is HBHWNZIZPBXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-9(2)15-13(19)16-12(18)8-17-5-4-10(3)6-11(17)7-14/h9-11H,4-8,14H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 103442104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).