5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one

C19H26N2O2 — CID 70788411

IUPAC5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
SMILESCC1(c2ccccc2)CCC(=O)N(CCC(=O)N2CCCC2)C1
InChIInChI=1S/C19H26N2O2/c1-19(16-7-3-2-4-8-16)11-9-17(22)21(15-19)14-10-18(23)20-12-5-6-13-20/h2-4,7-8H,5-6,9-15H2,1H3
InChIKeyHXCMYEBMOKUKMA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.58
Rot. Bonds4

About 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one

5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one (PubChem CID 70788411) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
PubChem CID70788411
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
SMILESCC1(c2ccccc2)CCC(=O)N(CCC(=O)N2CCCC2)C1
InChIInChI=1S/C19H26N2O2/c1-19(16-7-3-2-4-8-16)11-9-17(22)21(15-19)14-10-18(23)20-12-5-6-13-20/h2-4,7-8H,5-6,9-15H2,1H3
InChIKeyHXCMYEBMOKUKMA-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274
(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
CID 97127089
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one?
The IUPAC name of 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one (CID 70788411) is 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one.
What is the SMILES notation for 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one?
The canonical SMILES for 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one is CC1(c2ccccc2)CCC(=O)N(CCC(=O)N2CCCC2)C1.
What is the InChIKey of 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one?
The InChIKey is HXCMYEBMOKUKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(16-7-3-2-4-8-16)11-9-17(22)21(15-19)14-10-18(23)20-12-5-6-13-20/h2-4,7-8H,5-6,9-15H2,1H3.
What are the key properties of 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one?
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one is sourced from PubChem (CID 70788411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).