N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide

C14H21F3N4O3 — CID 37472472

IUPACN-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CC2)CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H21F3N4O3/c15-14(16,17)8-18-13(24)20-11(22)7-21-5-3-10(4-6-21)19-12(23)9-1-2-9/h9-10H,1-8H2,(H,19,23)(H2,18,20,22,24)
InChIKeyZKBPTVNILYTVTO-UHFFFAOYSA-N
MW350.34 g/mol
LogP0.37
Rot. Bonds5

About N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 37472472) has the molecular formula C14H21F3N4O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID37472472
Molecular FormulaC14H21F3N4O3
Molecular Weight350.34 g/mol
Exact Mass350.16
IUPAC NameN-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CC2)CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H21F3N4O3/c15-14(16,17)8-18-13(24)20-11(22)7-21-5-3-10(4-6-21)19-12(23)9-1-2-9/h9-10H,1-8H2,(H,19,23)(H2,18,20,22,24)
InChIKeyZKBPTVNILYTVTO-UHFFFAOYSA-N
XLogP0.37
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide (CID 37472472) is N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(CN1CCC(NC(=O)C2CC2)CC1)NC(=O)NCC(F)(F)F.
What is the InChIKey of N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is ZKBPTVNILYTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O3/c15-14(16,17)8-18-13(24)20-11(22)7-21-5-3-10(4-6-21)19-12(23)9-1-2-9/h9-10H,1-8H2,(H,19,23)(H2,18,20,22,24).
What are the key properties of N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 350.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 37472472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).