3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C18H28N2O4 — CID 72837392

IUPAC3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCC1(CO)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C18H28N2O4/c1-13(2)15-6-5-14(16(22)19-15)17(23)20-9-4-7-18(11-20,12-21)8-10-24-3/h5-6,13,21H,4,7-12H2,1-3H3,(H,19,22)
InChIKeyIVSQKHOHMBLRAO-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.75
Rot. Bonds6

About 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 72837392) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID72837392
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCC1(CO)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C18H28N2O4/c1-13(2)15-6-5-14(16(22)19-15)17(23)20-9-4-7-18(11-20,12-21)8-10-24-3/h5-6,13,21H,4,7-12H2,1-3H3,(H,19,22)
InChIKeyIVSQKHOHMBLRAO-UHFFFAOYSA-N
XLogP1.75
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 72837392) is 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is COCCC1(CO)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IVSQKHOHMBLRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(2)15-6-5-14(16(22)19-15)17(23)20-9-4-7-18(11-20,12-21)8-10-24-3/h5-6,13,21H,4,7-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 336.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 72837392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).