(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone

C20H24N2O2 — CID 124568876

IUPAC(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)16-6-4-15(5-7-16)19(23)22-13-10-18(14-22)24-17-8-11-21-12-9-17/h4-9,11-12,18H,10,13-14H2,1-3H3/t18-/m1/s1
InChIKeyCRKKNZFLRSLYAA-GOSISDBHSA-N
MW324.42 g/mol
LogP3.67
Rot. Bonds3

About (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone

(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone (PubChem CID 124568876) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
PubChem CID124568876
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)16-6-4-15(5-7-16)19(23)22-13-10-18(14-22)24-17-8-11-21-12-9-17/h4-9,11-12,18H,10,13-14H2,1-3H3/t18-/m1/s1
InChIKeyCRKKNZFLRSLYAA-GOSISDBHSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186547
5-[(3S)-3-pyridin-4-yloxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124568635
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
N-[4-(3-pyridin-4-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 119100706
(4-tert-butylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625430
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone (CID 124568876) is (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
The InChIKey is CRKKNZFLRSLYAA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)16-6-4-15(5-7-16)19(23)22-13-10-18(14-22)24-17-8-11-21-12-9-17/h4-9,11-12,18H,10,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 124568876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).