2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride

C14H30ClN3O — CID 120728523

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
SMILESCCN(CC)C(=O)C(C)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-4-16(5-2)14(18)12(3)17-10-6-7-13(11-17)8-9-15;/h12-13H,4-11,15H2,1-3H3;1H
InChIKeyXELMMNXVZVKBMO-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.73
Rot. Bonds6

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride

2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride (PubChem CID 120728523) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
PubChem CID120728523
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
SMILESCCN(CC)C(=O)C(C)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-4-16(5-2)14(18)12(3)17-10-6-7-13(11-17)8-9-15;/h12-13H,4-11,15H2,1-3H3;1H
InChIKeyXELMMNXVZVKBMO-UHFFFAOYSA-N
XLogP1.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
CID 120728309
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368
2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 79867648
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
CID 55243556
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride (CID 120728523) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride is CCN(CC)C(=O)C(C)N1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride?
The InChIKey is XELMMNXVZVKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-4-16(5-2)14(18)12(3)17-10-6-7-13(11-17)8-9-15;/h12-13H,4-11,15H2,1-3H3;1H.
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride?
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 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,N-diethylpropanamide;hydrochloride is sourced from PubChem (CID 120728523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).