N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide

C28H29F3N2O — CID 159064661

IUPACN,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
SMILESO=C(CCCN1CCC(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29F3N2O/c29-28(30,31)24-10-7-9-23(21-24)22-16-19-32(20-17-22)18-8-15-27(34)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-7,9-14,21-22H,8,15-20H2
InChIKeyYPIXWQVXIKTPLB-UHFFFAOYSA-N
MW466.55 g/mol
LogP7.03
Rot. Bonds7

About N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide

N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide (PubChem CID 159064661) has the molecular formula C28H29F3N2O and a molecular weight of 466.55 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
PubChem CID159064661
Molecular FormulaC28H29F3N2O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC NameN,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
SMILESO=C(CCCN1CCC(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29F3N2O/c29-28(30,31)24-10-7-9-23(21-24)22-16-19-32(20-17-22)18-8-15-27(34)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-7,9-14,21-22H,8,15-20H2
InChIKeyYPIXWQVXIKTPLB-UHFFFAOYSA-N
XLogP7.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-[4-(4-phenylazepan-1-yl)butanoyl]anilino]benzamide
CID 70010240
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
3-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166288064
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 146135039
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 67357691
(4-methylsulfanylphenyl)-[1-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 10218234
2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
CID 138056859
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
The IUPAC name of N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide (CID 159064661) is N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide.
What is the SMILES notation for N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
The canonical SMILES for N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide is O=C(CCCN1CCC(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
The InChIKey is YPIXWQVXIKTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N2O/c29-28(30,31)24-10-7-9-23(21-24)22-16-19-32(20-17-22)18-8-15-27(34)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-7,9-14,21-22H,8,15-20H2.
What are the key properties of N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide has a molecular weight of 466.55 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 159064661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).