1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one

C20H31N3O3 — CID 70786228

IUPAC1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCCCC2CN2CCOCC2)c(=O)n1C
InChIInChI=1S/C20H31N3O3/c1-15(2)18-8-7-17(19(24)21(18)3)20(25)23-9-5-4-6-16(23)14-22-10-12-26-13-11-22/h7-8,15-16H,4-6,9-14H2,1-3H3
InChIKeySOECCXDFXKYHRO-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.84
Rot. Bonds4

About 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one

1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one (PubChem CID 70786228) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
PubChem CID70786228
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCCCC2CN2CCOCC2)c(=O)n1C
InChIInChI=1S/C20H31N3O3/c1-15(2)18-8-7-17(19(24)21(18)3)20(25)23-9-5-4-6-16(23)14-22-10-12-26-13-11-22/h7-8,15-16H,4-6,9-14H2,1-3H3
InChIKeySOECCXDFXKYHRO-UHFFFAOYSA-N
XLogP1.84
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
The IUPAC name of 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one (CID 70786228) is 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one is CC(C)c1ccc(C(=O)N2CCCCC2CN2CCOCC2)c(=O)n1C.
What is the InChIKey of 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
The InChIKey is SOECCXDFXKYHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(2)18-8-7-17(19(24)21(18)3)20(25)23-9-5-4-6-16(23)14-22-10-12-26-13-11-22/h7-8,15-16H,4-6,9-14H2,1-3H3.
What are the key properties of 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one has a molecular weight of 361.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 70786228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).