5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide

C24H28F2N2O2 — CID 118120801

IUPAC5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide
SMILESCOCC1(c2ccc(F)cc2)CCN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CC1
InChIInChI=1S/C24H28F2N2O2/c1-30-15-24(18-4-6-19(25)7-5-18)8-10-28(11-9-24)14-17-12-22(26)21(23(27)29)13-20(17)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H2,27,29)
InChIKeyOHJZTSGMUJGHNU-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.12
Rot. Bonds7

About 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide

5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 118120801) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide
PubChem CID118120801
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide
SMILESCOCC1(c2ccc(F)cc2)CCN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CC1
InChIInChI=1S/C24H28F2N2O2/c1-30-15-24(18-4-6-19(25)7-5-18)8-10-28(11-9-24)14-17-12-22(26)21(23(27)29)13-20(17)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H2,27,29)
InChIKeyOHJZTSGMUJGHNU-UHFFFAOYSA-N
XLogP4.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide
CID 118110545
Synthesis of 5-cyclopropyl-2-fluoro-4-((4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl)methyl)-N-(methylsulfonyl)benzamide, trifluoroacetic acid salt
CID 118120619
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide
CID 118353669
US10723742, Example 84
CID 135339442
US10723742, Example 78
CID 135339630
US10723742, Example 79
CID 135339782
US10723742, Example 75
CID 135339832
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 27448775
N-[(4-phenyloxan-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 27448797
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}-2-methylbenzamide
CID 27449958
2,3-dimethoxy-N-(p-fluorobenzyl)piperdin-4-yl benzamide
CID 129718996
Ethyl 4-(cyclopropylmethyl)-1-[(3'-fluoro-3-biphenylyl)carbonyl]-4-piperidinecarboxylate
CID 25487416

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide (CID 118120801) is 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide is COCC1(c2ccc(F)cc2)CCN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CC1.
What is the InChIKey of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is OHJZTSGMUJGHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-30-15-24(18-4-6-19(25)7-5-18)8-10-28(11-9-24)14-17-12-22(26)21(23(27)29)13-20(17)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H2,27,29).
What are the key properties of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide?
5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 118120801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).