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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one
CID 119139081
3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one
CID 167896700
(3S)-1-phenyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)piperidin-2-one
CID 95779878
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
1-cyclopropyl-N-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 63986474
(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one
CID 101461393
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
CID 133372898
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120633333
(3S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 124623272
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106

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).