1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one

C21H28N2O2 — CID 132967914

IUPAC1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(/C=C\CC(=O)N2CCCCC2CN2CCCC2=O)cc1
InChIInChI=1S/C21H28N2O2/c1-17-10-12-18(13-11-17)6-4-8-21(25)23-15-3-2-7-19(23)16-22-14-5-9-20(22)24/h4,6,10-13,19H,2-3,5,7-9,14-16H2,1H3/b6-4-
InChIKeyMNSRGCLMMHUYNM-XQRVVYSFSA-N
MW340.47 g/mol
LogP3.40
Rot. Bonds5

About 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one

1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 132967914) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one
PubChem CID132967914
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(/C=C\CC(=O)N2CCCCC2CN2CCCC2=O)cc1
InChIInChI=1S/C21H28N2O2/c1-17-10-12-18(13-11-17)6-4-8-21(25)23-15-3-2-7-19(23)16-22-14-5-9-20(22)24/h4,6,10-13,19H,2-3,5,7-9,14-16H2,1H3/b6-4-
InChIKeyMNSRGCLMMHUYNM-XQRVVYSFSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one
CID 129432850
1-[2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95766670
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
1-[(E)-4-(4-methylphenyl)but-3-enoyl]piperidine-4-carboxylic acid
CID 75483359
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417
2-[(2R)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]pyrrolidin-2-yl]acetic acid
CID 129468782
1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 131923446
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
tert-butyl 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 19367194

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one (CID 132967914) is 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one is Cc1ccc(/C=C\CC(=O)N2CCCCC2CN2CCCC2=O)cc1.
What is the InChIKey of 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is MNSRGCLMMHUYNM-XQRVVYSFSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-10-12-18(13-11-17)6-4-8-21(25)23-15-3-2-7-19(23)16-22-14-5-9-20(22)24/h4,6,10-13,19H,2-3,5,7-9,14-16H2,1H3/b6-4-.
What are the key properties of 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(Z)-4-(4-methylphenyl)but-3-enoyl]piperidin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 132967914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).