3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C14H20N2O3 — CID 43589491

IUPAC3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC(CO)C2)c(=O)[nH]1
InChIInChI=1S/C14H20N2O3/c1-9-6-10(2)15-13(18)12(9)14(19)16-5-3-4-11(7-16)8-17/h6,11,17H,3-5,7-8H2,1-2H3,(H,15,18)
InChIKeyRXRSNLRZEXBOFP-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.84
Rot. Bonds2

About 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 43589491) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID43589491
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC(CO)C2)c(=O)[nH]1
InChIInChI=1S/C14H20N2O3/c1-9-6-10(2)15-13(18)12(9)14(19)16-5-3-4-11(7-16)8-17/h6,11,17H,3-5,7-8H2,1-2H3,(H,15,18)
InChIKeyRXRSNLRZEXBOFP-UHFFFAOYSA-N
XLogP0.84
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 43589491) is 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCCC(CO)C2)c(=O)[nH]1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is RXRSNLRZEXBOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-10(2)15-13(18)12(9)14(19)16-5-3-4-11(7-16)8-17/h6,11,17H,3-5,7-8H2,1-2H3,(H,15,18).
What are the key properties of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 43589491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).