N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane

C25H37F3N2O3 — CID 143594524

IUPACN-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
SMILESCC.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(C3CCOCC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C23H31F3N2O3.C2H6/c1-22(30,23(24,25)26)17-4-2-16(3-5-17)21(29)28(19-6-7-19)20-8-12-27(13-9-20)18-10-14-31-15-11-18;1-2/h2-5,18-20,30H,6-15H2,1H3;1-2H3
InChIKeyAWHJJXQDTVNZLQ-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.73
Rot. Bonds5

About N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane

N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane (PubChem CID 143594524) has the molecular formula C25H37F3N2O3 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
PubChem CID143594524
Molecular FormulaC25H37F3N2O3
Molecular Weight470.58 g/mol
Exact Mass470.28
IUPAC NameN-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
SMILESCC.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(C3CCOCC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C23H31F3N2O3.C2H6/c1-22(30,23(24,25)26)17-4-2-16(3-5-17)21(29)28(19-6-7-19)20-8-12-27(13-9-20)18-10-14-31-15-11-18;1-2/h2-5,18-20,30H,6-15H2,1H3;1-2H3
InChIKeyAWHJJXQDTVNZLQ-UHFFFAOYSA-N
XLogP4.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59031016
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-[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
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-cyclohexyl-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24895553
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-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25019311

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane?
The IUPAC name of N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane (CID 143594524) is N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane.
What is the SMILES notation for N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane?
The canonical SMILES for N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane is CC.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(C3CCOCC3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane?
The InChIKey is AWHJJXQDTVNZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O3.C2H6/c1-22(30,23(24,25)26)17-4-2-16(3-5-17)21(29)28(19-6-7-19)20-8-12-27(13-9-20)18-10-14-31-15-11-18;1-2/h2-5,18-20,30H,6-15H2,1H3;1-2H3.
What are the key properties of N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane?
N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane has a molecular weight of 470.58 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane is sourced from PubChem (CID 143594524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).