2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide

C18H25F3N2O2 — CID 163352811

IUPAC2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)16(24)22-14-8-10-23(11-9-14)12-13-4-6-15(7-5-13)25-18(19,20)21/h4-7,14H,8-12H2,1-3H3,(H,22,24)
InChIKeySWBVIQFHRQVIQA-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.71
Rot. Bonds4

About 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 163352811) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID163352811
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)16(24)22-14-8-10-23(11-9-14)12-13-4-6-15(7-5-13)25-18(19,20)21/h4-7,14H,8-12H2,1-3H3,(H,22,24)
InChIKeySWBVIQFHRQVIQA-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55741672
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 171343772
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide (CID 163352811) is 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide is CC(C)(C)C(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is SWBVIQFHRQVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-17(2,3)16(24)22-14-8-10-23(11-9-14)12-13-4-6-15(7-5-13)25-18(19,20)21/h4-7,14H,8-12H2,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 163352811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).