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

C17H20F3N3O — CID 133354731

IUPACN-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C17H20F3N3O/c1-2-4-16(24)22-13-5-3-8-23(11-13)14-7-6-12(10-21)15(9-14)17(18,19)20/h6-7,9,13H,2-5,8,11H2,1H3,(H,22,24)
InChIKeyKVLCKOODZJZBNX-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.46
Rot. Bonds4

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

N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide (PubChem CID 133354731) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
PubChem CID133354731
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C17H20F3N3O/c1-2-4-16(24)22-13-5-3-8-23(11-13)14-7-6-12(10-21)15(9-14)17(18,19)20/h6-7,9,13H,2-5,8,11H2,1H3,(H,22,24)
InChIKeyKVLCKOODZJZBNX-UHFFFAOYSA-N
XLogP3.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
CID 133354781
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 89025286
ethyl 1-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-4-carboxylate
CID 155926288
4-(azepan-1-yl)-2-(trifluoromethyl)benzonitrile
CID 43320619
2-[[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122062329
4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 138991932
4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43320702
3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
CID 75523659
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 71862458
5-[3-(methylamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 115300902
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide (CID 133354731) is N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1.
What is the InChIKey of N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide?
The InChIKey is KVLCKOODZJZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-2-4-16(24)22-13-5-3-8-23(11-13)14-7-6-12(10-21)15(9-14)17(18,19)20/h6-7,9,13H,2-5,8,11H2,1H3,(H,22,24).
What are the key properties of N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide?
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide has a molecular weight of 339.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 133354731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).