[1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H29FN2O2 — CID 97154414

IUPAC[1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)C[C@]1(C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O2/c1-21(2)15-22(21,17-5-7-18(23)8-6-17)20(27)25-13-9-16(10-14-25)19(26)24-11-3-4-12-24/h5-8,16H,3-4,9-15H2,1-2H3/t22-/m1/s1
InChIKeyLIYKIPVULVZSGU-JOCHJYFZSA-N
MW372.48 g/mol
LogP3.35
Rot. Bonds3

About [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97154414) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID97154414
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name[1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)C[C@]1(C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O2/c1-21(2)15-22(21,17-5-7-18(23)8-6-17)20(27)25-13-9-16(10-14-25)19(26)24-11-3-4-12-24/h5-8,16H,3-4,9-15H2,1-2H3/t22-/m1/s1
InChIKeyLIYKIPVULVZSGU-JOCHJYFZSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 97154414) is [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC1(C)C[C@]1(C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LIYKIPVULVZSGU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-21(2)15-22(21,17-5-7-18(23)8-6-17)20(27)25-13-9-16(10-14-25)19(26)24-11-3-4-12-24/h5-8,16H,3-4,9-15H2,1-2H3/t22-/m1/s1.
What are the key properties of [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97154414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).