1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one

C23H27N3O2 — CID 162990301

IUPAC1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCCC2c2cccnc2)CN1CCc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-22-15-20(17-25(22)14-11-18-7-2-1-3-8-18)23(28)26-13-5-4-10-21(26)19-9-6-12-24-16-19/h1-3,6-9,12,16,20-21H,4-5,10-11,13-15,17H2
InChIKeyDRZFEGZWSDEJGM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one

1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 162990301) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID162990301
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCCC2c2cccnc2)CN1CCc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-22-15-20(17-25(22)14-11-18-7-2-1-3-8-18)23(28)26-13-5-4-10-21(26)19-9-6-12-24-16-19/h1-3,6-9,12,16,20-21H,4-5,10-11,13-15,17H2
InChIKeyDRZFEGZWSDEJGM-UHFFFAOYSA-N
XLogP3.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 129354842
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 99998905
(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013354
(4R)-1-(2-phenylethyl)-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013355
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9374038
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 71904507

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 162990301) is 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCCC2c2cccnc2)CN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is DRZFEGZWSDEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-15-20(17-25(22)14-11-18-7-2-1-3-8-18)23(28)26-13-5-4-10-21(26)19-9-6-12-24-16-19/h1-3,6-9,12,16,20-21H,4-5,10-11,13-15,17H2.
What are the key properties of 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 162990301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).