6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

C14H21N3O3 — CID 43421416

IUPAC6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCCC2CO)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-8-17-13(19)7-6-12(15-17)14(20)16-9-4-3-5-11(16)10-18/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyFVTNIZWYJLAHMO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.64
Rot. Bonds4

About 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 43421416) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID43421416
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCCC2CO)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-8-17-13(19)7-6-12(15-17)14(20)16-9-4-3-5-11(16)10-18/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyFVTNIZWYJLAHMO-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (CID 43421416) is 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCCCC2CO)ccc1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is FVTNIZWYJLAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-8-17-13(19)7-6-12(15-17)14(20)16-9-4-3-5-11(16)10-18/h6-7,11,18H,2-5,8-10H2,1H3.
What are the key properties of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 43421416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).