1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C12H21F3N4O3 — CID 91266576

IUPAC1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(CCCCN1CCNCC1C(=O)NCC(F)(F)F)NO
InChIInChI=1S/C12H21F3N4O3/c13-12(14,15)8-17-11(21)9-7-16-4-6-19(9)5-2-1-3-10(20)18-22/h9,16,22H,1-8H2,(H,17,21)(H,18,20)
InChIKeyAYJSCFCULCQLMN-UHFFFAOYSA-N
MW326.32 g/mol
LogP-0.39
Rot. Bonds7

About 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 91266576) has the molecular formula C12H21F3N4O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID91266576
Molecular FormulaC12H21F3N4O3
Molecular Weight326.32 g/mol
Exact Mass326.16
IUPAC Name1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(CCCCN1CCNCC1C(=O)NCC(F)(F)F)NO
InChIInChI=1S/C12H21F3N4O3/c13-12(14,15)8-17-11(21)9-7-16-4-6-19(9)5-2-1-3-10(20)18-22/h9,16,22H,1-8H2,(H,17,21)(H,18,20)
InChIKeyAYJSCFCULCQLMN-UHFFFAOYSA-N
XLogP-0.39
TPSA93.70 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 ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 688571
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CID 44561193
2-fluoroethyl-hydroxy-methyl-[(2S)-piperidine-2-carbonyl]azanium
CID 88529065
4,4-difluoro-N-methoxy-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 123799075
1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
CID 142065780
1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 142065811
1-(5-amino-5-oxopentyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 154332158
2,2,2-trifluoro-N-[4-[4-oxido-6-oxo-5-[4-[(2,2,2-trifluoroacetyl)amino]butyl]piperazin-4-ium-2-yl]butyl]acetamide
CID 163838916
5-(4,4-Difluoropiperidin-1-yl)-2-formamidopentanamide
CID 175824190
5-(3,3-Difluoropiperidin-1-yl)-2-formamidopentanamide
CID 175824207
N-(2-amino-2-oxoethyl)-3,3,3-trifluoro-N-piperidin-4-ylpropanamide
CID 60801233

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 91266576) is 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is O=C(CCCCN1CCNCC1C(=O)NCC(F)(F)F)NO.
What is the InChIKey of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is AYJSCFCULCQLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O3/c13-12(14,15)8-17-11(21)9-7-16-4-6-19(9)5-2-1-3-10(20)18-22/h9,16,22H,1-8H2,(H,17,21)(H,18,20).
What are the key properties of 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of -0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxyamino)-5-oxopentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 91266576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).