4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one

C17H23N3O — CID 3065245

IUPAC4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one
SMILESCC1(C)CC(=O)NC(CC2=NNC(c3ccccc3)C2)C1
InChIInChI=1S/C17H23N3O/c1-17(2)10-14(18-16(21)11-17)8-13-9-15(20-19-13)12-6-4-3-5-7-12/h3-7,14-15,20H,8-11H2,1-2H3,(H,18,21)
InChIKeySLXDZPZFOOPZTB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds3

About 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one

4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one (PubChem CID 3065245) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one
PubChem CID3065245
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one
SMILESCC1(C)CC(=O)NC(CC2=NNC(c3ccccc3)C2)C1
InChIInChI=1S/C17H23N3O/c1-17(2)10-14(18-16(21)11-17)8-13-9-15(20-19-13)12-6-4-3-5-7-12/h3-7,14-15,20H,8-11H2,1-2H3,(H,18,21)
InChIKeySLXDZPZFOOPZTB-UHFFFAOYSA-N
XLogP2.77
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzyl-4-piperidinylidene)hexanohydrazide
CID 3385093
N-[(1-benzylpiperidin-4-ylidene)amino]octanamide
CID 4616428
(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide
CID 6248026
2-Piperidinone, 6-((4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)methyl)-4,4-dimethyl-
CID 3065246
5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 52947197
(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970442
N-benzhydryl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 5214214
N-(2-fluorobenzyl)-3-{1-[3-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)propanoyl]-3-piperidinyl}propanamide
CID 45195536
3a-[(4-Fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 15481189
3a-Benzyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 22557093
(3aR)-3a-benzyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 23377727
N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide
CID 25230602

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one?
The IUPAC name of 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one (CID 3065245) is 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one is CC1(C)CC(=O)NC(CC2=NNC(c3ccccc3)C2)C1.
What is the InChIKey of 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one?
The InChIKey is SLXDZPZFOOPZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)10-14(18-16(21)11-17)8-13-9-15(20-19-13)12-6-4-3-5-7-12/h3-7,14-15,20H,8-11H2,1-2H3,(H,18,21).
What are the key properties of 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one?
4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 3065245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).