N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide

C19H27F3N2O2 — CID 119811192

IUPACN-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(CNC(=O)CC(C)C2CCNCC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C19H27F3N2O2/c1-13-3-4-16(17(9-13)26-12-19(20,21)22)11-24-18(25)10-14(2)15-5-7-23-8-6-15/h3-4,9,14-15,23H,5-8,10-12H2,1-2H3,(H,24,25)
InChIKeyULUIRXFCEKHLFS-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.58
Rot. Bonds7

About N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide

N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119811192) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119811192
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC NameN-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(CNC(=O)CC(C)C2CCNCC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C19H27F3N2O2/c1-13-3-4-16(17(9-13)26-12-19(20,21)22)11-24-18(25)10-14(2)15-5-7-23-8-6-15/h3-4,9,14-15,23H,5-8,10-12H2,1-2H3,(H,24,25)
InChIKeyULUIRXFCEKHLFS-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide with MolForge

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Related Compounds

3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811297
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 120501924
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119811160
2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119811196
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide (CID 119811192) is N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide is Cc1ccc(CNC(=O)CC(C)C2CCNCC2)c(OCC(F)(F)F)c1.
What is the InChIKey of N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is ULUIRXFCEKHLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-13-3-4-16(17(9-13)26-12-19(20,21)22)11-24-18(25)10-14(2)15-5-7-23-8-6-15/h3-4,9,14-15,23H,5-8,10-12H2,1-2H3,(H,24,25).
What are the key properties of N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 372.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119811192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).