tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate

C24H35F3N4O3 — CID 22321599

IUPACtert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate
SMILESCN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C24H35F3N4O3/c1-23(2,3)34-22(33)31(20-8-6-5-7-19(20)24(25,26)27)17-21(32)30-15-13-29(14-16-30)18-9-11-28(4)12-10-18/h5-8,18H,9-17H2,1-4H3
InChIKeyKOWXVFHTKQUULC-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate (PubChem CID 22321599) has the molecular formula C24H35F3N4O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate
PubChem CID22321599
Molecular FormulaC24H35F3N4O3
Molecular Weight484.56 g/mol
Exact Mass484.27
IUPAC Nametert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate
SMILESCN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C24H35F3N4O3/c1-23(2,3)34-22(33)31(20-8-6-5-7-19(20)24(25,26)27)17-21(32)30-15-13-29(14-16-30)18-9-11-28(4)12-10-18/h5-8,18H,9-17H2,1-4H3
InChIKeyKOWXVFHTKQUULC-UHFFFAOYSA-N
XLogP3.69
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 22321740
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3S)-4-[2-(trifluoromethyl)phenyl]sulfonylmorpholin-3-yl]methoxy]ethanone
CID 71057218
N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
CID 22321792
tert-butyl N-(2-methoxyphenyl)-N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 22321603
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109017301
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 67480079
tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate
CID 22499456
2-(2-chlorophenyl)-1-[4-(1-methylpiperidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 138382667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate (CID 22321599) is tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate is CN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KOWXVFHTKQUULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N4O3/c1-23(2,3)34-22(33)31(20-8-6-5-7-19(20)24(25,26)27)17-21(32)30-15-13-29(14-16-30)18-9-11-28(4)12-10-18/h5-8,18H,9-17H2,1-4H3.
What are the key properties of tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 484.56 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 22321599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).