N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide

C16H28F3N3O2 — CID 87016273

IUPACN-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-4-20-15(24)13-5-7-21(8-6-13)10-14(23)22(9-12(2)3)11-16(17,18)19/h12-13H,4-11H2,1-3H3,(H,20,24)
InChIKeySMLBNOVJVVGLTL-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.88
Rot. Bonds7

About N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide

N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 87016273) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID87016273
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC NameN-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-4-20-15(24)13-5-7-21(8-6-13)10-14(23)22(9-12(2)3)11-16(17,18)19/h12-13H,4-11H2,1-3H3,(H,20,24)
InChIKeySMLBNOVJVVGLTL-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate
CID 87017323
N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78898090
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145
1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 35318239
2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60706892
N-tert-butyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 51362667
1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-ethylpiperidine-4-carboxamide
CID 87016268
1-(2-bromo-3-methylbutanoyl)-N-ethylpiperidine-4-carboxamide
CID 54875467
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
2-(4-amino-3-methylpiperidin-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 79867832
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide (CID 87016273) is N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SMLBNOVJVVGLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-4-20-15(24)13-5-7-21(8-6-13)10-14(23)22(9-12(2)3)11-16(17,18)19/h12-13H,4-11H2,1-3H3,(H,20,24).
What are the key properties of N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide?
N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 87016273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).