N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C24H33F3N2O2 — CID 59031016

IUPACN-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCN(C3CCCCC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H33F3N2O2/c1-23(31,24(25,26)27)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-28(16-14-21)19-5-3-2-4-6-19/h7-10,19-21,31H,2-6,11-16H2,1H3/t23-/m0/s1
InChIKeyQFQNCRDXUPWWHO-QHCPKHFHSA-N
MW438.53 g/mol
LogP4.86
Rot. Bonds5

About N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 59031016) has the molecular formula C24H33F3N2O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID59031016
Molecular FormulaC24H33F3N2O2
Molecular Weight438.53 g/mol
Exact Mass438.25
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCN(C3CCCCC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H33F3N2O2/c1-23(31,24(25,26)27)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-28(16-14-21)19-5-3-2-4-6-19/h7-10,19-21,31H,2-6,11-16H2,1H3/t23-/m0/s1
InChIKeyQFQNCRDXUPWWHO-QHCPKHFHSA-N
XLogP4.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594524
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-cyclohexyl-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24895553
N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987480
N-cyclopropyl-N-(4-cyclopropyl-4-hydroxycyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 67251749
N-cyclopropyl-N-[1-[1-(hydroxymethyl)cyclopropyl]piperidin-4-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24859677
N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
N-[1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25263223
N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594511
bis(N-cyclopropyl-N-(4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-[(1S,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyrrolidin-1-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 160529542
N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 70966342

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 59031016) is N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCN(C3CCCCC3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is QFQNCRDXUPWWHO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H33F3N2O2/c1-23(31,24(25,26)27)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-28(16-14-21)19-5-3-2-4-6-19/h7-10,19-21,31H,2-6,11-16H2,1H3/t23-/m0/s1.
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 59031016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).