N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide

C16H21F3N2O — CID 119388692

IUPACN-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)NC1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-2-14(15(22)21-13-6-8-20-9-7-13)11-4-3-5-12(10-11)16(17,18)19/h3-5,10,13-14,20H,2,6-9H2,1H3,(H,21,22)
InChIKeyBLIRKZCRSUCGML-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.07
Rot. Bonds4

About N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 119388692) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID119388692
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)NC1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-2-14(15(22)21-13-6-8-20-9-7-13)11-4-3-5-12(10-11)16(17,18)19/h3-5,10,13-14,20H,2,6-9H2,1H3,(H,21,22)
InChIKeyBLIRKZCRSUCGML-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120554725
N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
CID 134068455
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 120996972
N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119628819
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 111969635
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide
CID 158758791

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide (CID 119388692) is N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)NC1CCNCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BLIRKZCRSUCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-2-14(15(22)21-13-6-8-20-9-7-13)11-4-3-5-12(10-11)16(17,18)19/h3-5,10,13-14,20H,2,6-9H2,1H3,(H,21,22).
What are the key properties of N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide?
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 314.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119388692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).