1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone

C13H27N3O3 — CID 39290169

IUPAC1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
SMILESCOCCN(CCOC)CC(=O)N1CCC(N)CC1
InChIInChI=1S/C13H27N3O3/c1-18-9-7-15(8-10-19-2)11-13(17)16-5-3-12(14)4-6-16/h12H,3-11,14H2,1-2H3
InChIKeyFHRKTBKSICIYGG-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.47
Rot. Bonds8

About 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone

1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone (PubChem CID 39290169) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
PubChem CID39290169
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
SMILESCOCCN(CCOC)CC(=O)N1CCC(N)CC1
InChIInChI=1S/C13H27N3O3/c1-18-9-7-15(8-10-19-2)11-13(17)16-5-3-12(14)4-6-16/h12H,3-11,14H2,1-2H3
InChIKeyFHRKTBKSICIYGG-UHFFFAOYSA-N
XLogP-0.47
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
2-[2-methoxyethyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 54969051
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
CID 170895884
2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79327977
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
CID 39259440
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone (CID 39290169) is 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone is COCCN(CCOC)CC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
The InChIKey is FHRKTBKSICIYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-18-9-7-15(8-10-19-2)11-13(17)16-5-3-12(14)4-6-16/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone has a molecular weight of 273.38 g/mol, XLogP of -0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone is sourced from PubChem (CID 39290169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).