2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

C17H33N5O — CID 68647376

IUPAC2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)CN3CCCC(N)C3)CC2)CC1
InChIInChI=1S/C17H33N5O/c1-19-7-4-16(5-8-19)21-9-11-22(12-10-21)17(23)14-20-6-2-3-15(18)13-20/h15-16H,2-14,18H2,1H3
InChIKeyVIYTYKZZBAVHHK-UHFFFAOYSA-N
MW323.49 g/mol
LogP-0.35
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 68647376) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
PubChem CID68647376
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)CN3CCCC(N)C3)CC2)CC1
InChIInChI=1S/C17H33N5O/c1-19-7-4-16(5-8-19)21-9-11-22(12-10-21)17(23)14-20-6-2-3-15(18)13-20/h15-16H,2-14,18H2,1H3
InChIKeyVIYTYKZZBAVHHK-UHFFFAOYSA-N
XLogP-0.35
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (CID 68647376) is 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is CN1CCC(N2CCN(C(=O)CN3CCCC(N)C3)CC2)CC1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is VIYTYKZZBAVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-19-7-4-16(5-8-19)21-9-11-22(12-10-21)17(23)14-20-6-2-3-15(18)13-20/h15-16H,2-14,18H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 323.49 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 68647376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).