1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C12H21F3N4O3 — CID 154332158

IUPAC1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESNC(=O)CCCCN1CCNCC1(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N4O3/c13-12(14,15)8-18-10(21)11(22)7-17-4-6-19(11)5-2-1-3-9(16)20/h17,22H,1-8H2,(H2,16,20)(H,18,21)
InChIKeyFIFGCPBZCCMZFT-UHFFFAOYSA-N
MW326.32 g/mol
LogP-1.09
Rot. Bonds7

About 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 154332158) has the molecular formula C12H21F3N4O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID154332158
Molecular FormulaC12H21F3N4O3
Molecular Weight326.32 g/mol
Exact Mass326.16
IUPAC Name1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESNC(=O)CCCCN1CCNCC1(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N4O3/c13-12(14,15)8-18-10(21)11(22)7-17-4-6-19(11)5-2-1-3-9(16)20/h17,22H,1-8H2,(H2,16,20)(H,18,21)
InChIKeyFIFGCPBZCCMZFT-UHFFFAOYSA-N
XLogP-1.09
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 154332158) is 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is NC(=O)CCCCN1CCNCC1(O)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is FIFGCPBZCCMZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O3/c13-12(14,15)8-18-10(21)11(22)7-17-4-6-19(11)5-2-1-3-9(16)20/h17,22H,1-8H2,(H2,16,20)(H,18,21).
What are the key properties of 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 154332158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).