3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one

C21H27N3O2 — CID 45246722

IUPAC3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CNCc3ncccc3C)C2=O)c1
InChIInChI=1S/C21H27N3O2/c1-16-6-3-8-18(12-16)14-24-11-5-9-21(26,20(24)25)15-22-13-19-17(2)7-4-10-23-19/h3-4,6-8,10,12,22,26H,5,9,11,13-15H2,1-2H3
InChIKeyDZHQOLUHABLKQG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.34
Rot. Bonds6

About 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one

3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one (PubChem CID 45246722) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
PubChem CID45246722
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CNCc3ncccc3C)C2=O)c1
InChIInChI=1S/C21H27N3O2/c1-16-6-3-8-18(12-16)14-24-11-5-9-21(26,20(24)25)15-22-13-19-17(2)7-4-10-23-19/h3-4,6-8,10,12,22,26H,5,9,11,13-15H2,1-2H3
InChIKeyDZHQOLUHABLKQG-UHFFFAOYSA-N
XLogP2.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one (CID 45246722) is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one is Cc1cccc(CN2CCCC(O)(CNCc3ncccc3C)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
The InChIKey is DZHQOLUHABLKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-6-3-8-18(12-16)14-24-11-5-9-21(26,20(24)25)15-22-13-19-17(2)7-4-10-23-19/h3-4,6-8,10,12,22,26H,5,9,11,13-15H2,1-2H3.
What are the key properties of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45246722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).