N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C10H18F3N3O — CID 55011415

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)N1CCNCC1
InChIInChI=1S/C10H18F3N3O/c1-8(2)16(7-10(11,12)13)9(17)15-5-3-14-4-6-15/h8,14H,3-7H2,1-2H3
InChIKeyGKJNBKXNHNKZTD-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.28
Rot. Bonds2

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 55011415) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID55011415
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)N1CCNCC1
InChIInChI=1S/C10H18F3N3O/c1-8(2)16(7-10(11,12)13)9(17)15-5-3-14-4-6-15/h8,14H,3-7H2,1-2H3
InChIKeyGKJNBKXNHNKZTD-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 55011415) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC(C)N(CC(F)(F)F)C(=O)N1CCNCC1.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is GKJNBKXNHNKZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-8(2)16(7-10(11,12)13)9(17)15-5-3-14-4-6-15/h8,14H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55011415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).