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

C15H31N3O — CID 55258571

IUPACN-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCCC(C)NC(=O)C(C)N1CCCC(C(C)NC)C1
InChIInChI=1S/C15H31N3O/c1-6-11(2)17-15(19)13(4)18-9-7-8-14(10-18)12(3)16-5/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyBTXIWQAGQMRDGN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

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

N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (PubChem CID 55258571) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
PubChem CID55258571
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCCC(C)NC(=O)C(C)N1CCCC(C(C)NC)C1
InChIInChI=1S/C15H31N3O/c1-6-11(2)17-15(19)13(4)18-9-7-8-14(10-18)12(3)16-5/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyBTXIWQAGQMRDGN-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
CID 63853233
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
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-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
CID 119927531
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63854633
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
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (CID 55258571) is N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is CCC(C)NC(=O)C(C)N1CCCC(C(C)NC)C1.
What is the InChIKey of N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The InChIKey is BTXIWQAGQMRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-11(2)17-15(19)13(4)18-9-7-8-14(10-18)12(3)16-5/h11-14,16H,6-10H2,1-5H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 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-(methylamino)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 55258571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).