2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone

C13H25N3O — CID 61296313

IUPAC2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
SMILESNC1CCCN(CC(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H25N3O/c14-12-6-5-7-15(10-12)11-13(17)16-8-3-1-2-4-9-16/h12H,1-11,14H2
InChIKeyVLSGRGLFCSDYBY-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds2

About 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone

2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone (PubChem CID 61296313) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
PubChem CID61296313
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
SMILESNC1CCCN(CC(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H25N3O/c14-12-6-5-7-15(10-12)11-13(17)16-8-3-1-2-4-9-16/h12H,1-11,14H2
InChIKeyVLSGRGLFCSDYBY-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
1-[2-(3-aminopiperidin-1-yl)acetyl]imidazolidin-2-one
CID 61297595
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone (CID 61296313) is 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone is NC1CCCN(CC(=O)N2CCCCCC2)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone?
The InChIKey is VLSGRGLFCSDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-12-6-5-7-15(10-12)11-13(17)16-8-3-1-2-4-9-16/h12H,1-11,14H2.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone?
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 61296313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).