5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C17H26N2O3 — CID 156585635

IUPAC5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCC1CCCCN1C(=O)c1ccc(=O)[nH]c1C(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)16-14(7-8-15(20)18-16)17(21)19-10-5-4-6-13(19)9-11-22-3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,18,20)
InChIKeyBFMCMGAAQZGDOX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.53
Rot. Bonds5

About 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 156585635) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID156585635
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCC1CCCCN1C(=O)c1ccc(=O)[nH]c1C(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)16-14(7-8-15(20)18-16)17(21)19-10-5-4-6-13(19)9-11-22-3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,18,20)
InChIKeyBFMCMGAAQZGDOX-UHFFFAOYSA-N
XLogP2.53
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 156585635) is 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is COCCC1CCCCN1C(=O)c1ccc(=O)[nH]c1C(C)C.
What is the InChIKey of 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is BFMCMGAAQZGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)16-14(7-8-15(20)18-16)17(21)19-10-5-4-6-13(19)9-11-22-3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,18,20).
What are the key properties of 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 156585635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).