[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone

C23H25FN2O2 — CID 134794113

IUPAC[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1CCCN1C(=O)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-10-8-19(9-11-20)22(27)26-14-4-7-21(26)23(28)25-15-12-18(13-16-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,18,21H,4,7,12-16H2
InChIKeyRIECCPRNQGLBDF-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.84
Rot. Bonds3

About [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone

[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134794113) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134794113
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1CCCN1C(=O)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-10-8-19(9-11-20)22(27)26-14-4-7-21(26)23(28)25-15-12-18(13-16-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,18,21H,4,7,12-16H2
InChIKeyRIECCPRNQGLBDF-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
N,N'-dibenzoylpiperazine
CID 80185
Itareparib
CID 73774960
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethyl-phenyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573217
N,N-dimethyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25218397

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134794113) is [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(C1CCCN1C(=O)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is RIECCPRNQGLBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-20-10-8-19(9-11-20)22(27)26-14-4-7-21(26)23(28)25-15-12-18(13-16-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,18,21H,4,7,12-16H2.
What are the key properties of [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone?
[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 380.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)pyrrolidin-2-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134794113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).