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

C14H23N3O2 — CID 43590103

IUPAC5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCCC(CO)C2)c1
InChIInChI=1S/C14H23N3O2/c15-13-4-5-14(19)17(10-13)8-2-7-16-6-1-3-12(9-16)11-18/h4-5,10,12,18H,1-3,6-9,11,15H2
InChIKeyMRWKVMNDGPLLSI-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.52
Rot. Bonds5

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

5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one (PubChem CID 43590103) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
PubChem CID43590103
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCCC(CO)C2)c1
InChIInChI=1S/C14H23N3O2/c15-13-4-5-14(19)17(10-13)8-2-7-16-6-1-3-12(9-16)11-18/h4-5,10,12,18H,1-3,6-9,11,15H2
InChIKeyMRWKVMNDGPLLSI-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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Related Compounds

Kuraramine
CID 11447394
Isokuraramine
CID 6325429
6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
CID 46187187
6-[(3R,5R)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
CID 101665417
6-[(3S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
CID 135040563
6-[(3R)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
CID 135040587
6-[(3S,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
CID 11276099
5-Amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
5-Amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43259597
5-Amino-1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43259674
5-Amino-1-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 43259675
4-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 43422095

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one (CID 43590103) is 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one is Nc1ccc(=O)n(CCCN2CCCC(CO)C2)c1.
What is the InChIKey of 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
The InChIKey is MRWKVMNDGPLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-13-4-5-14(19)17(10-13)8-2-7-16-6-1-3-12(9-16)11-18/h4-5,10,12,18H,1-3,6-9,11,15H2.
What are the key properties of 5-amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one?
5-amino-1-[3-[3-(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-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one is sourced from PubChem (CID 43590103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).