2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one

C17H21N3O — CID 135472878

IUPAC2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(CN2CCC(c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H21N3O/c1-13-18-16(11-17(21)19-13)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
InChIKeyQEOPQOKSEATYPU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one

2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 135472878) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one
PubChem CID135472878
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(CN2CCC(c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H21N3O/c1-13-18-16(11-17(21)19-13)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
InChIKeyQEOPQOKSEATYPU-UHFFFAOYSA-N
XLogP2.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one (CID 135472878) is 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one is Cc1nc(CN2CCC(c3ccccc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is QEOPQOKSEATYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-18-16(11-17(21)19-13)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21).
What are the key properties of 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one?
2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 283.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135472878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).