N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C26H31F3N2O2 — CID 71154794

IUPACN-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCC1CN(Cc2ccccc2)CC[C@H]1N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C26H31F3N2O2/c1-18-16-30(17-19-6-4-3-5-7-19)15-14-23(18)31(22-12-13-22)24(32)20-8-10-21(11-9-20)25(2,33)26(27,28)29/h3-11,18,22-23,33H,12-17H2,1-2H3/t18?,23-,25+/m1/s1
InChIKeyHQVBYFFFZAHGMV-CYIQGPGPSA-N
MW460.54 g/mol
LogP4.97
Rot. Bonds6

About N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 71154794) has the molecular formula C26H31F3N2O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID71154794
Molecular FormulaC26H31F3N2O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC NameN-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCC1CN(Cc2ccccc2)CC[C@H]1N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C26H31F3N2O2/c1-18-16-30(17-19-6-4-3-5-7-19)15-14-23(18)31(22-12-13-22)24(32)20-8-10-21(11-9-20)25(2,33)26(27,28)29/h3-11,18,22-23,33H,12-17H2,1-2H3/t18?,23-,25+/m1/s1
InChIKeyHQVBYFFFZAHGMV-CYIQGPGPSA-N
XLogP4.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 24859388
4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 24859815
N-cyclopropyl-N-[1-[1-(hydroxymethyl)cyclopropyl]piperidin-4-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24859677
N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594524
N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59031016
N-cyclopropyl-N-(4-cyclopropyl-4-hydroxycyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 67251749
N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59030586
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594511
N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987480
[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate
CID 75587228
N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 71154794) is N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is CC1CN(Cc2ccccc2)CC[C@H]1N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is HQVBYFFFZAHGMV-CYIQGPGPSA-N. The full InChI is InChI=1S/C26H31F3N2O2/c1-18-16-30(17-19-6-4-3-5-7-19)15-14-23(18)31(22-12-13-22)24(32)20-8-10-21(11-9-20)25(2,33)26(27,28)29/h3-11,18,22-23,33H,12-17H2,1-2H3/t18?,23-,25+/m1/s1.
What are the key properties of N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-benzyl-3-methylpiperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 71154794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).