(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate

C16H21F3N2O3 — CID 2765954

IUPAC(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(CN2CCCCC2)C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3/c1-23-13-7-5-12(6-8-13)20-15(22)24-14(16(17,18)19)11-21-9-3-2-4-10-21/h5-8,14H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyUZGIVDKRSDUBNE-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.66
Rot. Bonds5

About (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate

(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate (PubChem CID 2765954) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate
PubChem CID2765954
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(CN2CCCCC2)C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3/c1-23-13-7-5-12(6-8-13)20-15(22)24-14(16(17,18)19)11-21-9-3-2-4-10-21/h5-8,14H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyUZGIVDKRSDUBNE-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
GW542573X
CID 24885053
Isopropyl N-(4-methoxyphenyl)carbamate
CID 186315
Carbizocaine
CID 50266
Arylaminoethyl carbamate, 16
CID 23648377
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
(1-benzhydrylazetidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2822603
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015279
tert-butyl N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}carbamate
CID 57420188
tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
CID 58765508
Ethyl 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 118396015

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate?
The IUPAC name of (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate (CID 2765954) is (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate?
The canonical SMILES for (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OC(CN2CCCCC2)C(F)(F)F)cc1.
What is the InChIKey of (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate?
The InChIKey is UZGIVDKRSDUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-13-7-5-12(6-8-13)20-15(22)24-14(16(17,18)19)11-21-9-3-2-4-10-21/h5-8,14H,2-4,9-11H2,1H3,(H,20,22).
What are the key properties of (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate?
(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate has a molecular weight of 346.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 2765954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).