2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one

C14H20N2O2 — CID 124568628

IUPAC2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)13(17)16-9-6-12(10-16)18-11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyIWGWXTOCZGTGCU-GFCCVEGCSA-N
MW248.33 g/mol
LogP2.11
Rot. Bonds2

About 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one (PubChem CID 124568628) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
PubChem CID124568628
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)13(17)16-9-6-12(10-16)18-11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyIWGWXTOCZGTGCU-GFCCVEGCSA-N
XLogP2.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one 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

(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate
CID 121017457
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318
N-tert-butyl-2-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]acetamide
CID 99631729
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
CID 154829496
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one (CID 124568628) is 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CC[C@@H](Oc2ccncc2)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one?
The InChIKey is IWGWXTOCZGTGCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)13(17)16-9-6-12(10-16)18-11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124568628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).