[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone

C28H37FN2O — CID 146229020

IUPAC[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(F)CN1CCC(CCc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1
InChIInChI=1S/C28H37FN2O/c1-28(2,29)21-30-19-15-23(16-20-30)6-5-22-7-9-24(10-8-22)25-11-13-26(14-12-25)27(32)31-17-3-4-18-31/h7-14,23H,3-6,15-21H2,1-2H3
InChIKeyWUMLVYXELJIFOE-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.98
Rot. Bonds7

About [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 146229020) has the molecular formula C28H37FN2O and a molecular weight of 436.62 g/mol. Its IUPAC name is [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID146229020
Molecular FormulaC28H37FN2O
Molecular Weight436.62 g/mol
Exact Mass436.29
IUPAC Name[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(F)CN1CCC(CCc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1
InChIInChI=1S/C28H37FN2O/c1-28(2,29)21-30-19-15-23(16-20-30)6-5-22-7-9-24(10-8-22)25-11-13-26(14-12-25)27(32)31-17-3-4-18-31/h7-14,23H,3-6,15-21H2,1-2H3
InChIKeyWUMLVYXELJIFOE-UHFFFAOYSA-N
XLogP5.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 134420781
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methylamino]phenyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 90017314
N-[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 24567090
[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 70792444
3,3-dimethylbut-1-ene;[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]-pyrrolidin-1-ylmethanone
CID 143388200
1-[1-[4-[6-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]-3-pyridinyl]phenyl]ethenyl]piperidin-3-ol
CID 146228954
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72700347
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
CID 25492389
2-amino-1-[1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidin-2-yl]ethanone
CID 123235337
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123418930
methyl (2S)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxylate
CID 118147856

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone (CID 146229020) is [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone is CC(C)(F)CN1CCC(CCc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1.
What is the InChIKey of [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WUMLVYXELJIFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2O/c1-28(2,29)21-30-19-15-23(16-20-30)6-5-22-7-9-24(10-8-22)25-11-13-26(14-12-25)27(32)31-17-3-4-18-31/h7-14,23H,3-6,15-21H2,1-2H3.
What are the key properties of [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 436.62 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 146229020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).