2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride

C14H30ClN3O — CID 119925653

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-5-10(2)16-14(18)12(4)17-8-6-7-13(9-17)11(3)15;/h10-13H,5-9,15H2,1-4H3,(H,16,18);1H
InChIKeyBBWAXKHKGSKWQU-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.77
Rot. Bonds5

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride

2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride (PubChem CID 119925653) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
PubChem CID119925653
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-5-10(2)16-14(18)12(4)17-8-6-7-13(9-17)11(3)15;/h10-13H,5-9,15H2,1-4H3,(H,16,18);1H
InChIKeyBBWAXKHKGSKWQU-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55258571
N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
CID 63853233
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
CID 119927531
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride (CID 119925653) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride is CCC(C)NC(=O)C(C)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride?
The InChIKey is BBWAXKHKGSKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-5-10(2)16-14(18)12(4)17-8-6-7-13(9-17)11(3)15;/h10-13H,5-9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119925653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).