2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

C20H27FN2O2 — CID 92633437

IUPAC2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O2/c1-20(2,16-6-8-17(21)9-7-16)19(25)23-13-10-15(14-23)18(24)22-11-4-3-5-12-22/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyQXIUQQJWNVPEJW-OAHLLOKOSA-N
MW346.45 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 92633437) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID92633437
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O2/c1-20(2,16-6-8-17(21)9-7-16)19(25)23-13-10-15(14-23)18(24)22-11-4-3-5-12-22/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyQXIUQQJWNVPEJW-OAHLLOKOSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246623
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
N-[5-[(3R)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide
CID 97343192
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 120814958
N-(cyclopropylmethyl)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azetidine-3-carboxamide
CID 92634041
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 92633437) is 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is CC(C)(C(=O)N1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QXIUQQJWNVPEJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-20(2,16-6-8-17(21)9-7-16)19(25)23-13-10-15(14-23)18(24)22-11-4-3-5-12-22/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 346.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92633437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).