[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

C26H33FN2O — CID 129084484

IUPAC[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCCC1c1ccc(CN2C(C)CCC2C)cc1
InChIInChI=1S/C26H33FN2O/c1-18-7-6-8-23(27)25(18)26(30)28-16-5-4-9-24(28)22-14-12-21(13-15-22)17-29-19(2)10-11-20(29)3/h6-8,12-15,19-20,24H,4-5,9-11,16-17H2,1-3H3
InChIKeyAMQBBFZCUPOIFV-UHFFFAOYSA-N
MW408.56 g/mol
LogP5.87
Rot. Bonds4

About [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (PubChem CID 129084484) has the molecular formula C26H33FN2O and a molecular weight of 408.56 g/mol. Its IUPAC name is [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
PubChem CID129084484
Molecular FormulaC26H33FN2O
Molecular Weight408.56 g/mol
Exact Mass408.26
IUPAC Name[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCCC1c1ccc(CN2C(C)CCC2C)cc1
InChIInChI=1S/C26H33FN2O/c1-18-7-6-8-23(27)25(18)26(30)28-16-5-4-9-24(28)22-14-12-21(13-15-22)17-29-19(2)10-11-20(29)3/h6-8,12-15,19-20,24H,4-5,9-11,16-17H2,1-3H3
InChIKeyAMQBBFZCUPOIFV-UHFFFAOYSA-N
XLogP5.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone 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

[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 146793309
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
(2R)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 130231865
[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 177369510
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 114559410
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(2R)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 121382004
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575482
2-(4-chlorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 112834890
(2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 139318020

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The IUPAC name of [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (CID 129084484) is [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.
What is the SMILES notation for [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The canonical SMILES for [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is Cc1cccc(F)c1C(=O)N1CCCCC1c1ccc(CN2C(C)CCC2C)cc1.
What is the InChIKey of [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The InChIKey is AMQBBFZCUPOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O/c1-18-7-6-8-23(27)25(18)26(30)28-16-5-4-9-24(28)22-14-12-21(13-15-22)17-29-19(2)10-11-20(29)3/h6-8,12-15,19-20,24H,4-5,9-11,16-17H2,1-3H3.
What are the key properties of [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone has a molecular weight of 408.56 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is sourced from PubChem (CID 129084484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).