2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide

C13H27N3O — CID 63847237

IUPAC2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCCNCC1CCCN(C(C)C(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-5-14-9-12-7-6-8-16(10-12)11(2)13(17)15(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyBWKIAQYCSXENES-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.78
Rot. Bonds5

About 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide

2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 63847237) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID63847237
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCCNCC1CCCN(C(C)C(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-5-14-9-12-7-6-8-16(10-12)11(2)13(17)15(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyBWKIAQYCSXENES-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide (CID 63847237) is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide is CCNCC1CCCN(C(C)C(=O)N(C)C)C1.
What is the InChIKey of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is BWKIAQYCSXENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-14-9-12-7-6-8-16(10-12)11(2)13(17)15(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 63847237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).