1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one

C15H27N3O2 — CID 75449400

IUPAC1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one
SMILESCCCC(N)C(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H27N3O2/c1-2-5-13(16)15(20)17-10-7-12(8-11-17)18-9-4-3-6-14(18)19/h12-13H,2-11,16H2,1H3
InChIKeyJCHFVOYADMJKGH-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.12
Rot. Bonds4

About 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one

1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one (PubChem CID 75449400) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one
PubChem CID75449400
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one
SMILESCCCC(N)C(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H27N3O2/c1-2-5-13(16)15(20)17-10-7-12(8-11-17)18-9-4-3-6-14(18)19/h12-13H,2-11,16H2,1H3
InChIKeyJCHFVOYADMJKGH-UHFFFAOYSA-N
XLogP1.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one (CID 75449400) is 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one is CCCC(N)C(=O)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one?
The InChIKey is JCHFVOYADMJKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-5-13(16)15(20)17-10-7-12(8-11-17)18-9-4-3-6-14(18)19/h12-13H,2-11,16H2,1H3.
What are the key properties of 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one?
1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminopentanoyl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 75449400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).