ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate

C16H28F3N3O3 — CID 87017323

IUPACethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1
InChIInChI=1S/C16H28F3N3O3/c1-4-25-15(24)20-13-6-5-7-21(9-13)10-14(23)22(8-12(2)3)11-16(17,18)19/h12-13H,4-11H2,1-3H3,(H,20,24)
InChIKeyMOCSZKWNBQWLGA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.24
Rot. Bonds7

About ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate (PubChem CID 87017323) has the molecular formula C16H28F3N3O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate
PubChem CID87017323
Molecular FormulaC16H28F3N3O3
Molecular Weight367.41 g/mol
Exact Mass367.21
IUPAC Nameethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1
InChIInChI=1S/C16H28F3N3O3/c1-4-25-15(24)20-13-6-5-7-21(9-13)10-14(23)22(8-12(2)3)11-16(17,18)19/h12-13H,4-11H2,1-3H3,(H,20,24)
InChIKeyMOCSZKWNBQWLGA-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 87016273
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 87017795
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 119919979
ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 110892585
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78898090

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate (CID 87017323) is ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1.
What is the InChIKey of ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate?
The InChIKey is MOCSZKWNBQWLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O3/c1-4-25-15(24)20-13-6-5-7-21(9-13)10-14(23)22(8-12(2)3)11-16(17,18)19/h12-13H,4-11H2,1-3H3,(H,20,24).
What are the key properties of ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate has a molecular weight of 367.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 87017323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).