5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one

C16H26N4O — CID 63171540

IUPAC5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C16H26N4O/c17-14-4-5-16(21)20(12-14)11-10-18-9-6-15(13-18)19-7-2-1-3-8-19/h4-5,12,15H,1-3,6-11,13,17H2
InChIKeyZFCDLDLQARSMFB-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.99
Rot. Bonds4

About 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 63171540) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID63171540
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C16H26N4O/c17-14-4-5-16(21)20(12-14)11-10-18-9-6-15(13-18)19-7-2-1-3-8-19/h4-5,12,15H,1-3,6-11,13,17H2
InChIKeyZFCDLDLQARSMFB-UHFFFAOYSA-N
XLogP0.99
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one (CID 63171540) is 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCN2CCC(N3CCCCC3)C2)c1.
What is the InChIKey of 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is ZFCDLDLQARSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-14-4-5-16(21)20(12-14)11-10-18-9-6-15(13-18)19-7-2-1-3-8-19/h4-5,12,15H,1-3,6-11,13,17H2.
What are the key properties of 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 290.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 63171540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).