[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate

C18H23F4N3O3 — CID 68575415

IUPAC[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCC1(F)CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H23F4N3O3/c1-23-15(26)12-28-16(27)24-8-5-17(19)6-9-25(10-7-17)14-4-2-3-13(11-14)18(20,21)22/h2-4,11H,5-10,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyBELJCDNXENSQAX-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.88
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 68575415) has the molecular formula C18H23F4N3O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate
PubChem CID68575415
Molecular FormulaC18H23F4N3O3
Molecular Weight405.39 g/mol
Exact Mass405.17
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCC1(F)CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H23F4N3O3/c1-23-15(26)12-28-16(27)24-8-5-17(19)6-9-25(10-7-17)14-4-2-3-13(11-14)18(20,21)22/h2-4,11H,5-10,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyBELJCDNXENSQAX-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 69364898
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234
2,2,2-trifluoroethyl N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 78905464
[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate
CID 68574293
N-methyl-2-[[N-methyl-C-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 119131012
[2-(methylamino)-2-oxoethyl] 4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]piperazine-1-carboxylate
CID 59218218
tert-butyl N-[4-oxo-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]butyl]carbamate
CID 55683557
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] (2E,4E)-hexa-2,4-dienoate
CID 9230780
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34373016
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
N-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 56913982

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate (CID 68575415) is [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate is CNC(=O)COC(=O)NCCC1(F)CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is BELJCDNXENSQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F4N3O3/c1-23-15(26)12-28-16(27)24-8-5-17(19)6-9-25(10-7-17)14-4-2-3-13(11-14)18(20,21)22/h2-4,11H,5-10,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 405.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 68575415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).