N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide

C16H33N3O — CID 63853233

IUPACN-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
SMILESCCNC(C)C1CCCN(C(C)C(=O)NC(C)CC)C1
InChIInChI=1S/C16H33N3O/c1-6-12(3)18-16(20)14(5)19-10-8-9-15(11-19)13(4)17-7-2/h12-15,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyGHQSKHIGYPLAIS-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds7

About N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide

N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide (PubChem CID 63853233) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
PubChem CID63853233
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
SMILESCCNC(C)C1CCCN(C(C)C(=O)NC(C)CC)C1
InChIInChI=1S/C16H33N3O/c1-6-12(3)18-16(20)14(5)19-10-8-9-15(11-19)13(4)17-7-2/h12-15,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyGHQSKHIGYPLAIS-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
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
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63854633
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 63853232
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912
N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
CID 119927531
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721431
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide (CID 63853233) is N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide is CCNC(C)C1CCCN(C(C)C(=O)NC(C)CC)C1.
What is the InChIKey of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide?
The InChIKey is GHQSKHIGYPLAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-12(3)18-16(20)14(5)19-10-8-9-15(11-19)13(4)17-7-2/h12-15,17H,6-11H2,1-5H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide?
N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63853233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).