(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C20H26N2O3 — CID 125173686

IUPAC(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC1=CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1
InChIInChI=1S/C20H26N2O3/c1-14(2)25-18-6-4-17(5-7-18)22-13-16(12-19(22)23)20(24)21-10-8-15(3)9-11-21/h4-8,14,16H,9-13H2,1-3H3/t16-/m0/s1
InChIKeyCCBSPZIZFYOODH-INIZCTEOSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds4

About (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 125173686) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID125173686
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC1=CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1
InChIInChI=1S/C20H26N2O3/c1-14(2)25-18-6-4-17(5-7-18)22-13-16(12-19(22)23)20(24)21-10-8-15(3)9-11-21/h4-8,14,16H,9-13H2,1-3H3/t16-/m0/s1
InChIKeyCCBSPZIZFYOODH-INIZCTEOSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 40979119
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
(3S)-N-(3-fluoro-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124528877
(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124528874
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 125173686) is (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC1=CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1.
What is the InChIKey of (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is CCBSPZIZFYOODH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)25-18-6-4-17(5-7-18)22-13-16(12-19(22)23)20(24)21-10-8-15(3)9-11-21/h4-8,14,16H,9-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 125173686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).