1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

C28H33F3N2O — CID 10205450

IUPAC1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C28H33F3N2O/c29-28(30,31)24-8-4-5-20(17-24)19-32-26(34)27(23-9-10-23)14-11-25(18-27)33-15-12-22(13-16-33)21-6-2-1-3-7-21/h1-8,17,22-23,25H,9-16,18-19H2,(H,32,34)
InChIKeyVHLFQCOYDALEOW-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.15
Rot. Bonds6

About 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 10205450) has the molecular formula C28H33F3N2O and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID10205450
Molecular FormulaC28H33F3N2O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C28H33F3N2O/c29-28(30,31)24-8-4-5-20(17-24)19-32-26(34)27(23-9-10-23)14-11-25(18-27)33-15-12-22(13-16-33)21-6-2-1-3-7-21/h1-8,17,22-23,25H,9-16,18-19H2,(H,32,34)
InChIKeyVHLFQCOYDALEOW-UHFFFAOYSA-N
XLogP6.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid [1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-amide
CID 22293475
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid 3,5-bis-trifluoromethyl-benzylamide
CID 10483816
trans-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 44425645
trans-(1R,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpropyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 44425647
trans-(1S,3R)-1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 44425652
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cyclopentane-1-carboxamide
CID 11295434
(1S,3R)-3-(benzylamino)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 11397616
4-(4-Fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11464294
4-(4-Fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11464791
((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)-5,6-dihydropyridin-1(2H)-yl)methanone
CID 11641253
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-5-(piperidin-1-yl)pentanamide
CID 11843945

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 10205450) is 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VHLFQCOYDALEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N2O/c29-28(30,31)24-8-4-5-20(17-24)19-32-26(34)27(23-9-10-23)14-11-25(18-27)33-15-12-22(13-16-33)21-6-2-1-3-7-21/h1-8,17,22-23,25H,9-16,18-19H2,(H,32,34).
What are the key properties of 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 10205450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).