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

C18H25F3N2O — CID 119686323

IUPAC3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-12(15-6-4-8-22-11-15)9-17(24)23-13(2)14-5-3-7-16(10-14)18(19,20)21/h3,5,7,10,12-13,15,22H,4,6,8-9,11H2,1-2H3,(H,23,24)
InChIKeyUFWQIJSGPICYSN-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.91
Rot. Bonds5

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

3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 119686323) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID119686323
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-12(15-6-4-8-22-11-15)9-17(24)23-13(2)14-5-3-7-16(10-14)18(19,20)21/h3,5,7,10,12-13,15,22H,4,6,8-9,11H2,1-2H3,(H,23,24)
InChIKeyUFWQIJSGPICYSN-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 119788718
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (CID 119686323) is 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is CC(NC(=O)CC(C)C1CCCNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is UFWQIJSGPICYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-12(15-6-4-8-22-11-15)9-17(24)23-13(2)14-5-3-7-16(10-14)18(19,20)21/h3,5,7,10,12-13,15,22H,4,6,8-9,11H2,1-2H3,(H,23,24).
What are the key properties of 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 342.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 119686323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).