3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one

C16H20N4O — CID 167896700

IUPAC3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one
SMILESCn1cncc1CNC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H20N4O/c1-19-12-17-10-14(19)11-18-15-8-5-9-20(16(15)21)13-6-3-2-4-7-13/h2-4,6-7,10,12,15,18H,5,8-9,11H2,1H3
InChIKeyIYXNCYWUCYNBHU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.71
Rot. Bonds4

About 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one

3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one (PubChem CID 167896700) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one
PubChem CID167896700
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one
SMILESCn1cncc1CNC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H20N4O/c1-19-12-17-10-14(19)11-18-15-8-5-9-20(16(15)21)13-6-3-2-4-7-13/h2-4,6-7,10,12,15,18H,5,8-9,11H2,1H3
InChIKeyIYXNCYWUCYNBHU-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one (CID 167896700) is 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one is Cn1cncc1CNC1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one?
The InChIKey is IYXNCYWUCYNBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-12-17-10-14(19)11-18-15-8-5-9-20(16(15)21)13-6-3-2-4-7-13/h2-4,6-7,10,12,15,18H,5,8-9,11H2,1H3.
What are the key properties of 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one?
3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one is sourced from PubChem (CID 167896700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).