(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one

C19H25N3O — CID 97151583

IUPAC(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
SMILESCCn1cc(CN2C[C@](C)(c3ccccc3)CCC2=O)c(C)n1
InChIInChI=1S/C19H25N3O/c1-4-22-13-16(15(2)20-22)12-21-14-19(3,11-10-18(21)23)17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3/t19-/m1/s1
InChIKeyNXPORVPIHPHWRB-LJQANCHMSA-N
MW311.43 g/mol
LogP3.29
Rot. Bonds4

About (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one

(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one (PubChem CID 97151583) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
PubChem CID97151583
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
SMILESCCn1cc(CN2C[C@](C)(c3ccccc3)CCC2=O)c(C)n1
InChIInChI=1S/C19H25N3O/c1-4-22-13-16(15(2)20-22)12-21-14-19(3,11-10-18(21)23)17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3/t19-/m1/s1
InChIKeyNXPORVPIHPHWRB-LJQANCHMSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136568444
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
CID 97127089

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one (CID 97151583) is (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one is CCn1cc(CN2C[C@](C)(c3ccccc3)CCC2=O)c(C)n1.
What is the InChIKey of (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one?
The InChIKey is NXPORVPIHPHWRB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22-13-16(15(2)20-22)12-21-14-19(3,11-10-18(21)23)17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3/t19-/m1/s1.
What are the key properties of (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one?
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one has a molecular weight of 311.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 97151583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).