1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C16H23N3O3 — CID 24819416

IUPAC1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ncccc2C)CCC1=O
InChIInChI=1S/C16H23N3O3/c1-12-4-3-7-17-14(12)10-18-16(21)13-5-6-15(20)19(11-13)8-9-22-2/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,18,21)
InChIKeyPYCPLGZSDCGUKU-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.89
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819416) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819416
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ncccc2C)CCC1=O
InChIInChI=1S/C16H23N3O3/c1-12-4-3-7-17-14(12)10-18-16(21)13-5-6-15(20)19(11-13)8-9-22-2/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,18,21)
InChIKeyPYCPLGZSDCGUKU-UHFFFAOYSA-N
XLogP0.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24819416) is 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)NCc2ncccc2C)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PYCPLGZSDCGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-4-3-7-17-14(12)10-18-16(21)13-5-6-15(20)19(11-13)8-9-22-2/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).