1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one

C18H32N4O2 — CID 21102229

IUPAC1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
SMILESNC(CN1CCC(=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c19-17(14-20-10-6-16(23)7-11-20)18(24)22-12-4-15(5-13-22)21-8-2-1-3-9-21/h15,17H,1-14,19H2
InChIKeyDIERFRKWAZASSW-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.46
Rot. Bonds4

About 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one

1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one (PubChem CID 21102229) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
PubChem CID21102229
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
SMILESNC(CN1CCC(=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c19-17(14-20-10-6-16(23)7-11-20)18(24)22-12-4-15(5-13-22)21-8-2-1-3-9-21/h15,17H,1-14,19H2
InChIKeyDIERFRKWAZASSW-UHFFFAOYSA-N
XLogP0.46
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
The IUPAC name of 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one (CID 21102229) is 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one.
What is the SMILES notation for 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
The canonical SMILES for 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one is NC(CN1CCC(=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
The InChIKey is DIERFRKWAZASSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c19-17(14-20-10-6-16(23)7-11-20)18(24)22-12-4-15(5-13-22)21-8-2-1-3-9-21/h15,17H,1-14,19H2.
What are the key properties of 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one has a molecular weight of 336.48 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one is sourced from PubChem (CID 21102229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).