1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C22H28F2N2O3 — CID 55844070

IUPAC1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H28F2N2O3/c1-22(2,3)21(29)26-10-4-5-18(26)20(28)25-11-8-14(9-12-25)19(27)16-13-15(23)6-7-17(16)24/h6-7,13-14,18H,4-5,8-12H2,1-3H3
InChIKeyOQYPAVRBEKZKJU-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.42
Rot. Bonds3

About 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 55844070) has the molecular formula C22H28F2N2O3 and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID55844070
Molecular FormulaC22H28F2N2O3
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC Name1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H28F2N2O3/c1-22(2,3)21(29)26-10-4-5-18(26)20(28)25-11-8-14(9-12-25)19(27)16-13-15(23)6-7-17(16)24/h6-7,13-14,18H,4-5,8-12H2,1-3H3
InChIKeyOQYPAVRBEKZKJU-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

[(2S)-1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 94161022
[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 95173055
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
CID 51082686
(2,5-difluorophenyl)-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 71889854
1-[2-[4-[2-(4-chlorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 55887788
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
(E)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 55747979
4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511454
(2,5-difluorophenyl)-[1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone
CID 51123414

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 55844070) is 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OQYPAVRBEKZKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O3/c1-22(2,3)21(29)26-10-4-5-18(26)20(28)25-11-8-14(9-12-25)19(27)16-13-15(23)6-7-17(16)24/h6-7,13-14,18H,4-5,8-12H2,1-3H3.
What are the key properties of 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 406.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 55844070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).