3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one

C18H21N3O2 — CID 119133512

IUPAC3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
SMILESCOc1cccc(CNC2CCCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C18H21N3O2/c1-23-17-11-5-7-14(20-17)13-19-16-10-6-12-21(18(16)22)15-8-3-2-4-9-15/h2-5,7-9,11,16,19H,6,10,12-13H2,1H3
InChIKeyHLVGFCMJFXCLKI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.38
Rot. Bonds5

About 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one

3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one (PubChem CID 119133512) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
PubChem CID119133512
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
SMILESCOc1cccc(CNC2CCCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C18H21N3O2/c1-23-17-11-5-7-14(20-17)13-19-16-10-6-12-21(18(16)22)15-8-3-2-4-9-15/h2-5,7-9,11,16,19H,6,10,12-13H2,1H3
InChIKeyHLVGFCMJFXCLKI-UHFFFAOYSA-N
XLogP2.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one (CID 119133512) is 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one is COc1cccc(CNC2CCCN(c3ccccc3)C2=O)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one?
The InChIKey is HLVGFCMJFXCLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-11-5-7-14(20-17)13-19-16-10-6-12-21(18(16)22)15-8-3-2-4-9-15/h2-5,7-9,11,16,19H,6,10,12-13H2,1H3.
What are the key properties of 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one?
3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one is sourced from PubChem (CID 119133512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).