1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one

C13H23N3O2 — CID 39256517

IUPAC1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one
SMILESNC1CCN(C(=O)CCN2CCC(=O)CC2)CC1
InChIInChI=1S/C13H23N3O2/c14-11-1-9-16(10-2-11)13(18)5-8-15-6-3-12(17)4-7-15/h11H,1-10,14H2
InChIKeyZKHFHTZGUUXXCW-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.01
Rot. Bonds3

About 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one

1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one (PubChem CID 39256517) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one
PubChem CID39256517
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one
SMILESNC1CCN(C(=O)CCN2CCC(=O)CC2)CC1
InChIInChI=1S/C13H23N3O2/c14-11-1-9-16(10-2-11)13(18)5-8-15-6-3-12(17)4-7-15/h11H,1-10,14H2
InChIKeyZKHFHTZGUUXXCW-UHFFFAOYSA-N
XLogP-0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one (CID 39256517) is 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one is NC1CCN(C(=O)CCN2CCC(=O)CC2)CC1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one?
The InChIKey is ZKHFHTZGUUXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-11-1-9-16(10-2-11)13(18)5-8-15-6-3-12(17)4-7-15/h11H,1-10,14H2.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one?
1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one has a molecular weight of 253.35 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one is sourced from PubChem (CID 39256517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).