N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane

C27H31F7N2O — CID 142976866

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane
SMILESC1CC1.O=C(CCCN1CCC(c2ccc(F)cc2)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H25F7N2O.C3H6/c25-21-5-3-17(4-6-21)18-7-10-33(11-8-18)9-1-2-22(34)32-15-16-12-19(23(26,27)28)14-20(13-16)24(29,30)31;1-2-3-1/h3-6,12-14,18H,1-2,7-11,15H2,(H,32,34);1-3H2
InChIKeyGUMSAOPRFXIMCO-UHFFFAOYSA-N
MW532.54 g/mol
LogP7.31
Rot. Bonds7

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane (PubChem CID 142976866) has the molecular formula C27H31F7N2O and a molecular weight of 532.54 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane
PubChem CID142976866
Molecular FormulaC27H31F7N2O
Molecular Weight532.54 g/mol
Exact Mass532.23
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane
SMILESC1CC1.O=C(CCCN1CCC(c2ccc(F)cc2)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H25F7N2O.C3H6/c25-21-5-3-17(4-6-21)18-7-10-33(11-8-18)9-1-2-22(34)32-15-16-12-19(23(26,27)28)14-20(13-16)24(29,30)31;1-2-3-1/h3-6,12-14,18H,1-2,7-11,15H2,(H,32,34);1-3H2
InChIKeyGUMSAOPRFXIMCO-UHFFFAOYSA-N
XLogP7.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.54
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 10346048
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
CID 122181145
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42191490
cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 10144709
1-(aminomethyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]cyclopentane-1-carboxamide
CID 59049919
2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide
CID 131992276
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(methylideneamino)-2-[2-(4-phenylpiperidin-1-yl)ethyl]but-3-enamide
CID 142892638
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)azepan-1-yl]cyclopentane-1-carboxamide
CID 142977027
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 145191749
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
CID 10460916
1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 59888783
cis-(1S,3R)-1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 59050027

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane (CID 142976866) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane is C1CC1.O=C(CCCN1CCC(c2ccc(F)cc2)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane?
The InChIKey is GUMSAOPRFXIMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F7N2O.C3H6/c25-21-5-3-17(4-6-21)18-7-10-33(11-8-18)9-1-2-22(34)32-15-16-12-19(23(26,27)28)14-20(13-16)24(29,30)31;1-2-3-1/h3-6,12-14,18H,1-2,7-11,15H2,(H,32,34);1-3H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane has a molecular weight of 532.54 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]butanamide;cyclopropane is sourced from PubChem (CID 142976866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).