2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide

C13H27N3O — CID 79867648

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCC(N)C(C)C1
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)13(17)11(4)16-8-7-12(14)10(3)9-16/h10-12H,5-9,14H2,1-4H3
InChIKeyVBZZLXCUWRLRQA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds4

About 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide

2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide (PubChem CID 79867648) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
PubChem CID79867648
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCC(N)C(C)C1
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)13(17)11(4)16-8-7-12(14)10(3)9-16/h10-12H,5-9,14H2,1-4H3
InChIKeyVBZZLXCUWRLRQA-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide (CID 79867648) is 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CCC(N)C(C)C1.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide?
The InChIKey is VBZZLXCUWRLRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-15(6-2)13(17)11(4)16-8-7-12(14)10(3)9-16/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide?
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 79867648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).