N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C14H20F3N3O — CID 114610281

IUPACN-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cccn1CC(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H20F3N3O/c1-2-20(11-5-3-7-18-9-11)13(21)12-6-4-8-19(12)10-14(15,16)17/h4,6,8,11,18H,2-3,5,7,9-10H2,1H3
InChIKeyMKNRUWDSJWELJI-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114610281) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114610281
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cccn1CC(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H20F3N3O/c1-2-20(11-5-3-7-18-9-11)13(21)12-6-4-8-19(12)10-14(15,16)17/h4,6,8,11,18H,2-3,5,7,9-10H2,1H3
InChIKeyMKNRUWDSJWELJI-UHFFFAOYSA-N
XLogP2.26
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610258
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-ethyl-N-piperidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909185
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
CID 104671440
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
CID 63636908
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
N-(pyrrolidin-3-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610544
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
N-ethyl-6-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 63636559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114610281) is N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCN(C(=O)c1cccn1CC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is MKNRUWDSJWELJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-20(11-5-3-7-18-9-11)13(21)12-6-4-8-19(12)10-14(15,16)17/h4,6,8,11,18H,2-3,5,7,9-10H2,1H3.
What are the key properties of N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).