N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C20H27F3N2O2 — CID 172902079

IUPACN-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCN(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)C(=O)C1CCOC1
InChIInChI=1S/C20H27F3N2O2/c1-24(19(26)17-8-11-27-14-17)12-16-6-9-25(10-7-16)13-15-2-4-18(5-3-15)20(21,22)23/h2-5,16-17H,6-14H2,1H3
InChIKeyKVVOALICPOUXJZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.41
Rot. Bonds5

About N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 172902079) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID172902079
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCN(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)C(=O)C1CCOC1
InChIInChI=1S/C20H27F3N2O2/c1-24(19(26)17-8-11-27-14-17)12-16-6-9-25(10-7-16)13-15-2-4-18(5-3-15)20(21,22)23/h2-5,16-17H,6-14H2,1H3
InChIKeyKVVOALICPOUXJZ-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172900866
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172900865
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172899925
N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
CID 176930854
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(oxan-4-yl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 11671453
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
oxolan-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 51126733

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 172902079) is N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is CN(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)C(=O)C1CCOC1.
What is the InChIKey of N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is KVVOALICPOUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-24(19(26)17-8-11-27-14-17)12-16-6-9-25(10-7-16)13-15-2-4-18(5-3-15)20(21,22)23/h2-5,16-17H,6-14H2,1H3.
What are the key properties of N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 172902079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).