N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide

C28H34F3N3O3 — CID 171684982

IUPACN-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
SMILESCCC(C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C28H34F3N3O3/c1-2-25(20-6-4-3-5-7-20)27(36)34-18-14-23(15-19-34)33-16-12-22(13-17-33)32-26(35)21-8-10-24(11-9-21)37-28(29,30)31/h3-11,22-23,25H,2,12-19H2,1H3,(H,32,35)
InChIKeyLOXGLPOEJVSPRS-UHFFFAOYSA-N
MW517.59 g/mol
LogP4.96
Rot. Bonds7

About N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide

N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 171684982) has the molecular formula C28H34F3N3O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
PubChem CID171684982
Molecular FormulaC28H34F3N3O3
Molecular Weight517.59 g/mol
Exact Mass517.26
IUPAC NameN-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
SMILESCCC(C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C28H34F3N3O3/c1-2-25(20-6-4-3-5-7-20)27(36)34-18-14-23(15-19-34)33-16-12-22(13-17-33)32-26(35)21-8-10-24(11-9-21)37-28(29,30)31/h3-11,22-23,25H,2,12-19H2,1H3,(H,32,35)
InChIKeyLOXGLPOEJVSPRS-UHFFFAOYSA-N
XLogP4.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862580
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
CID 99815640
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71680197
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide (CID 171684982) is N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide is CCC(C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is LOXGLPOEJVSPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O3/c1-2-25(20-6-4-3-5-7-20)27(36)34-18-14-23(15-19-34)33-16-12-22(13-17-33)32-26(35)21-8-10-24(11-9-21)37-28(29,30)31/h3-11,22-23,25H,2,12-19H2,1H3,(H,32,35).
What are the key properties of N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide?
N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 517.59 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 171684982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).