2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide

C15H31N3O — CID 63763368

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCCC(CCN)C1
InChIInChI=1S/C15H31N3O/c1-4-14(5-2)17-15(19)12(3)18-10-6-7-13(11-18)8-9-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyGTTUHLHGUFOIMQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide

2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 63763368) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID63763368
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCCC(CCN)C1
InChIInChI=1S/C15H31N3O/c1-4-14(5-2)17-15(19)12(3)18-10-6-7-13(11-18)8-9-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyGTTUHLHGUFOIMQ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
CID 120728309
2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 79993821
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide (CID 63763368) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCCC(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is GTTUHLHGUFOIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-14(5-2)17-15(19)12(3)18-10-6-7-13(11-18)8-9-16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63763368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).