5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one

C18H28N4O2 — CID 69220336

IUPAC5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one
SMILESNC(Cc1ccc(=O)[nH]c1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c19-16(12-14-4-5-17(23)20-13-14)18(24)22-10-6-15(7-11-22)21-8-2-1-3-9-21/h4-5,13,15-16H,1-3,6-12,19H2,(H,20,23)
InChIKeyQKRPIENSFZXGOQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.72
Rot. Bonds4

About 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one

5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one (PubChem CID 69220336) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one
PubChem CID69220336
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one
SMILESNC(Cc1ccc(=O)[nH]c1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c19-16(12-14-4-5-17(23)20-13-14)18(24)22-10-6-15(7-11-22)21-8-2-1-3-9-21/h4-5,13,15-16H,1-3,6-12,19H2,(H,20,23)
InChIKeyQKRPIENSFZXGOQ-UHFFFAOYSA-N
XLogP0.72
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one (CID 69220336) is 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one is NC(Cc1ccc(=O)[nH]c1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one?
The InChIKey is QKRPIENSFZXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c19-16(12-14-4-5-17(23)20-13-14)18(24)22-10-6-15(7-11-22)21-8-2-1-3-9-21/h4-5,13,15-16H,1-3,6-12,19H2,(H,20,23).
What are the key properties of 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one?
5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one has a molecular weight of 332.45 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 69220336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).