N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide

C18H25F3N2O2 — CID 119744029

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H25F3N2O2/c1-3-25-16-5-4-14(18(19,20)21)11-15(16)23-17(24)10-12(2)13-6-8-22-9-7-13/h4-5,11-13,22H,3,6-10H2,1-2H3,(H,23,24)
InChIKeyVOIQSVLLSHVQJL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.07
Rot. Bonds6

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119744029) 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-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119744029
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H25F3N2O2/c1-3-25-16-5-4-14(18(19,20)21)11-15(16)23-17(24)10-12(2)13-6-8-22-9-7-13/h4-5,11-13,22H,3,6-10H2,1-2H3,(H,23,24)
InChIKeyVOIQSVLLSHVQJL-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-3-ylbutanamide
CID 119744019
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide
CID 47728241
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide (CID 119744029) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is VOIQSVLLSHVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-3-25-16-5-4-14(18(19,20)21)11-15(16)23-17(24)10-12(2)13-6-8-22-9-7-13/h4-5,11-13,22H,3,6-10H2,1-2H3,(H,23,24).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-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-4-ylbutanamide is sourced from PubChem (CID 119744029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).