1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one

C16H20N4O — CID 64655726

IUPAC1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
SMILESCN1CC(NCc2cn[nH]c2-c2ccccc2)CCC1=O
InChIInChI=1S/C16H20N4O/c1-20-11-14(7-8-15(20)21)17-9-13-10-18-19-16(13)12-5-3-2-4-6-12/h2-6,10,14,17H,7-9,11H2,1H3,(H,18,19)
InChIKeyCVNAGMUKPKPTFX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.79
Rot. Bonds4

About 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one

1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one (PubChem CID 64655726) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
PubChem CID64655726
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
SMILESCN1CC(NCc2cn[nH]c2-c2ccccc2)CCC1=O
InChIInChI=1S/C16H20N4O/c1-20-11-14(7-8-15(20)21)17-9-13-10-18-19-16(13)12-5-3-2-4-6-12/h2-6,10,14,17H,7-9,11H2,1H3,(H,18,19)
InChIKeyCVNAGMUKPKPTFX-UHFFFAOYSA-N
XLogP1.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one (CID 64655726) is 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one is CN1CC(NCc2cn[nH]c2-c2ccccc2)CCC1=O.
What is the InChIKey of 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is CVNAGMUKPKPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-11-14(7-8-15(20)21)17-9-13-10-18-19-16(13)12-5-3-2-4-6-12/h2-6,10,14,17H,7-9,11H2,1H3,(H,18,19).
What are the key properties of 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 64655726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).