N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide

C18H25F3N2O2 — CID 119744019

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H25F3N2O2/c1-3-25-16-7-6-14(18(19,20)21)10-15(16)23-17(24)9-12(2)13-5-4-8-22-11-13/h6-7,10,12-13,22H,3-5,8-9,11H2,1-2H3,(H,23,24)
InChIKeyQDFYESGZJWXBQL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.07
Rot. Bonds6

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119744019) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119744019
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H25F3N2O2/c1-3-25-16-7-6-14(18(19,20)21)10-15(16)23-17(24)9-12(2)13-5-4-8-22-11-13/h6-7,10,12-13,22H,3-5,8-9,11H2,1-2H3,(H,23,24)
InChIKeyQDFYESGZJWXBQL-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055
(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775760
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119693189
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide (CID 119744019) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is QDFYESGZJWXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-3-25-16-7-6-14(18(19,20)21)10-15(16)23-17(24)9-12(2)13-5-4-8-22-11-13/h6-7,10,12-13,22H,3-5,8-9,11H2,1-2H3,(H,23,24).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 358.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119744019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).