4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide

C23H29FN2O2 — CID 72700347

IUPAC4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(N)=O)cc3)cc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-23(2,24)16-26-13-11-17(12-14-26)15-28-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22(25)27/h3-10,17H,11-16H2,1-2H3,(H2,25,27)
InChIKeyRTIWAAOPOFLVEU-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.29
Rot. Bonds7

About 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide

4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide (PubChem CID 72700347) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
PubChem CID72700347
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(N)=O)cc3)cc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-23(2,24)16-26-13-11-17(12-14-26)15-28-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22(25)27/h3-10,17H,11-16H2,1-2H3,(H2,25,27)
InChIKeyRTIWAAOPOFLVEU-UHFFFAOYSA-N
XLogP4.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123418930
(2S,4R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 118147792
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
2-amino-1-[1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidin-2-yl]ethanone
CID 123235337
methyl 6-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylate
CID 90017587
methyl (2S)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxylate
CID 118147856
N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72699414
N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide
CID 72700685
[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[2-[hydroxy(methoxy)methyl]pyrrolidin-1-yl]methanone
CID 123473822
(2R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 118147872
2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
CID 141382276

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide (CID 72700347) is 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide is CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(N)=O)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The InChIKey is RTIWAAOPOFLVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-23(2,24)16-26-13-11-17(12-14-26)15-28-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22(25)27/h3-10,17H,11-16H2,1-2H3,(H2,25,27).
What are the key properties of 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide has a molecular weight of 384.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 72700347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).