3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide

C18H25F3N2O — CID 119801841

IUPAC3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
SMILESCC(CC(=O)NC(Cc1ccccc1)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C18H25F3N2O/c1-13(15-8-5-9-22-12-15)10-17(24)23-16(18(19,20)21)11-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,22H,5,8-12H2,1H3,(H,23,24)
InChIKeyWCUIMUCTEGJHAE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.30
Rot. Bonds6

About 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide

3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide (PubChem CID 119801841) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
PubChem CID119801841
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
SMILESCC(CC(=O)NC(Cc1ccccc1)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C18H25F3N2O/c1-13(15-8-5-9-22-12-15)10-17(24)23-16(18(19,20)21)11-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,22H,5,8-12H2,1H3,(H,23,24)
InChIKeyWCUIMUCTEGJHAE-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
CID 119769268
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
CID 119740642
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide (CID 119801841) is 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide is CC(CC(=O)NC(Cc1ccccc1)C(F)(F)F)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
The InChIKey is WCUIMUCTEGJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13(15-8-5-9-22-12-15)10-17(24)23-16(18(19,20)21)11-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,22H,5,8-12H2,1H3,(H,23,24).
What are the key properties of 3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide has a molecular weight of 342.40 g/mol, XLogP of 3.30, 6 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-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 119801841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).