4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one

C12H16N2O3 — CID 103762755

IUPAC4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCOC1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H16N2O3/c1-17-10-3-6-14(7-4-10)12(16)9-2-5-13-11(15)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,13,15)
InChIKeyJRBIHAOTEHRFEK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.63
Rot. Bonds2

About 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one

4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 103762755) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID103762755
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCOC1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H16N2O3/c1-17-10-3-6-14(7-4-10)12(16)9-2-5-13-11(15)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,13,15)
InChIKeyJRBIHAOTEHRFEK-UHFFFAOYSA-N
XLogP0.63
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one (CID 103762755) is 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one is COC1CCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is JRBIHAOTEHRFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-3-6-14(7-4-10)12(16)9-2-5-13-11(15)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,13,15).
What are the key properties of 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 103762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).