3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide

C19H27F3N2O2 — CID 119699236

IUPAC3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
SMILESCC(CC(=O)NCc1ccc(COCC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C19H27F3N2O2/c1-14(17-6-8-23-9-7-17)10-18(25)24-11-15-2-4-16(5-3-15)12-26-13-19(20,21)22/h2-5,14,17,23H,6-13H2,1H3,(H,24,25)
InChIKeyYFODWBLCOPBNRZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.41
Rot. Bonds8

About 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide

3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide (PubChem CID 119699236) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
PubChem CID119699236
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
SMILESCC(CC(=O)NCc1ccc(COCC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C19H27F3N2O2/c1-14(17-6-8-23-9-7-17)10-18(25)24-11-15-2-4-16(5-3-15)12-26-13-19(20,21)22/h2-5,14,17,23H,6-13H2,1H3,(H,24,25)
InChIKeyYFODWBLCOPBNRZ-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119811192
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119694525
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide (CID 119699236) is 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide is CC(CC(=O)NCc1ccc(COCC(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide?
The InChIKey is YFODWBLCOPBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-14(17-6-8-23-9-7-17)10-18(25)24-11-15-2-4-16(5-3-15)12-26-13-19(20,21)22/h2-5,14,17,23H,6-13H2,1H3,(H,24,25).
What are the key properties of 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide?
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide has a molecular weight of 372.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119699236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).