1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C22H33N3O2 — CID 70777268

IUPAC1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCN(C)c1ccc(CCC(=O)N2CCCCC2CCN2CCCC2=O)cc1
InChIInChI=1S/C22H33N3O2/c1-23(2)19-11-8-18(9-12-19)10-13-22(27)25-16-4-3-6-20(25)14-17-24-15-5-7-21(24)26/h8-9,11-12,20H,3-7,10,13-17H2,1-2H3
InChIKeyCJLKVPOELUHJLC-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.08
Rot. Bonds7

About 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 70777268) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID70777268
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCN(C)c1ccc(CCC(=O)N2CCCCC2CCN2CCCC2=O)cc1
InChIInChI=1S/C22H33N3O2/c1-23(2)19-11-8-18(9-12-19)10-13-22(27)25-16-4-3-6-20(25)14-17-24-15-5-7-21(24)26/h8-9,11-12,20H,3-7,10,13-17H2,1-2H3
InChIKeyCJLKVPOELUHJLC-UHFFFAOYSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66261236
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 97286609
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
(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-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
1-[2-[(2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124842042
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 80658927

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 70777268) is 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is CN(C)c1ccc(CCC(=O)N2CCCCC2CCN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CJLKVPOELUHJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-23(2)19-11-8-18(9-12-19)10-13-22(27)25-16-4-3-6-20(25)14-17-24-15-5-7-21(24)26/h8-9,11-12,20H,3-7,10,13-17H2,1-2H3.
What are the key properties of 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 371.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70777268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).