2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone

C13H27N3O — CID 84755574

IUPAC2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone
SMILESCCCCN(CC)C1CCCN(C(=O)CN)C1
InChIInChI=1S/C13H27N3O/c1-3-5-8-15(4-2)12-7-6-9-16(11-12)13(17)10-14/h12H,3-11,14H2,1-2H3
InChIKeyMYKIFOBARMZVIT-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds6

About 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone

2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone (PubChem CID 84755574) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone
PubChem CID84755574
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone
SMILESCCCCN(CC)C1CCCN(C(=O)CN)C1
InChIInChI=1S/C13H27N3O/c1-3-5-8-15(4-2)12-7-6-9-16(11-12)13(17)10-14/h12H,3-11,14H2,1-2H3
InChIKeyMYKIFOBARMZVIT-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566208
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567560
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554531
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone (CID 84755574) is 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone is CCCCN(CC)C1CCCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is MYKIFOBARMZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-8-15(4-2)12-7-6-9-16(11-12)13(17)10-14/h12H,3-11,14H2,1-2H3.
What are the key properties of 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone?
2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 241.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 84755574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).