2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide

C15H31N3O — CID 103352994

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
SMILESCCC1CCN(C(C)C(=O)N(CC)CC)C(CN)C1
InChIInChI=1S/C15H31N3O/c1-5-13-8-9-18(14(10-13)11-16)12(4)15(19)17(6-2)7-3/h12-14H,5-11,16H2,1-4H3
InChIKeyQRSCQXLIRNSMAG-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide (PubChem CID 103352994) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
PubChem CID103352994
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
SMILESCCC1CCN(C(C)C(=O)N(CC)CC)C(CN)C1
InChIInChI=1S/C15H31N3O/c1-5-13-8-9-18(14(10-13)11-16)12(4)15(19)17(6-2)7-3/h12-14H,5-11,16H2,1-4H3
InChIKeyQRSCQXLIRNSMAG-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide (CID 103352994) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide is CCC1CCN(C(C)C(=O)N(CC)CC)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide?
The InChIKey is QRSCQXLIRNSMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-13-8-9-18(14(10-13)11-16)12(4)15(19)17(6-2)7-3/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 103352994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).