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

C14H23N3O2 — CID 43259674

IUPAC5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCC(CO)CC2)c1
InChIInChI=1S/C14H23N3O2/c15-13-2-3-14(19)17(10-13)7-1-6-16-8-4-12(11-18)5-9-16/h2-3,10,12,18H,1,4-9,11,15H2
InChIKeyHPMQPUJFNMGKQN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.52
Rot. Bonds5

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

5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one (PubChem CID 43259674) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
PubChem CID43259674
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCC(CO)CC2)c1
InChIInChI=1S/C14H23N3O2/c15-13-2-3-14(19)17(10-13)7-1-6-16-8-4-12(11-18)5-9-16/h2-3,10,12,18H,1,4-9,11,15H2
InChIKeyHPMQPUJFNMGKQN-UHFFFAOYSA-N
XLogP0.52
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one (CID 43259674) is 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one is Nc1ccc(=O)n(CCCN2CCC(CO)CC2)c1.
What is the InChIKey of 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
The InChIKey is HPMQPUJFNMGKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-13-2-3-14(19)17(10-13)7-1-6-16-8-4-12(11-18)5-9-16/h2-3,10,12,18H,1,4-9,11,15H2.
What are the key properties of 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one is sourced from PubChem (CID 43259674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).