2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide

C11H23N3O — CID 114961414

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCC(C)C(CN)C1
InChIInChI=1S/C11H23N3O/c1-8-4-5-14(7-10(8)6-12)9(2)11(15)13-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyAEZYILJXTTXCIB-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.04
Rot. Bonds3

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide (PubChem CID 114961414) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
PubChem CID114961414
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCC(C)C(CN)C1
InChIInChI=1S/C11H23N3O/c1-8-4-5-14(7-10(8)6-12)9(2)11(15)13-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyAEZYILJXTTXCIB-UHFFFAOYSA-N
XLogP0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide (CID 114961414) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCC(C)C(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide?
The InChIKey is AEZYILJXTTXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8-4-5-14(7-10(8)6-12)9(2)11(15)13-3/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 114961414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).