6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C15H22N2O3 — CID 77089790

IUPAC6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)OCC1CCN(C(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-10-12-6-8-17(9-7-12)15(19)13-4-3-5-14(18)16-13/h3-5,11-12H,6-10H2,1-2H3,(H,16,18)
InChIKeyGIWBZCFYHATWMQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds4

About 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 77089790) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID77089790
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)OCC1CCN(C(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-10-12-6-8-17(9-7-12)15(19)13-4-3-5-14(18)16-13/h3-5,11-12H,6-10H2,1-2H3,(H,16,18)
InChIKeyGIWBZCFYHATWMQ-UHFFFAOYSA-N
XLogP1.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 77089790) is 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(C)OCC1CCN(C(=O)c2cccc(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GIWBZCFYHATWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)20-10-12-6-8-17(9-7-12)15(19)13-4-3-5-14(18)16-13/h3-5,11-12H,6-10H2,1-2H3,(H,16,18).
What are the key properties of 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 77089790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).