5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C18H27N3O2 — CID 162632260

IUPAC5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1CC(N2CCCCC2C)C1
InChIInChI=1S/C18H27N3O2/c1-12(2)17-15(7-8-16(22)19-17)18(23)20-10-14(11-20)21-9-5-4-6-13(21)3/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,19,22)
InChIKeyPXICAZRJHHCZPJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.20
Rot. Bonds3

About 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 162632260) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID162632260
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1CC(N2CCCCC2C)C1
InChIInChI=1S/C18H27N3O2/c1-12(2)17-15(7-8-16(22)19-17)18(23)20-10-14(11-20)21-9-5-4-6-13(21)3/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,19,22)
InChIKeyPXICAZRJHHCZPJ-UHFFFAOYSA-N
XLogP2.20
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 162632260) is 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)ccc1C(=O)N1CC(N2CCCCC2C)C1.
What is the InChIKey of 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is PXICAZRJHHCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)17-15(7-8-16(22)19-17)18(23)20-10-14(11-20)21-9-5-4-6-13(21)3/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,19,22).
What are the key properties of 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 317.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 162632260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).